 Entering Gaussian System, Link 0=g16
 Input=19_methylcyclohexanone_Chair_STD_wB97XD-def2SVPDr.in
 Output=19_methylcyclohexanone_Chair_STD_wB97XD-def2SVPDr.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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                  0.28148150384D-01      1.0000000
            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/wB97XD_def2SVPD/19_methylcyclohexanone_Chair_STD/Gau-17393.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/wB97XD_def2SVPD/19_methylcyclohexanone_Chair_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     17394.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                23-Jul-2021 
 ******************************************
 %NoSave
 %nproc=16
 Will use up to   16 processors via shared memory.
 %mem=80GB
 %chk=19_methylcyclohexanone_Chair_STD_wB97XD-def2SVPDr
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Fri Jul 23 17:58:16 2021, MaxMem= 10737418240 cpu:               1.6 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "19_methylcyclohexanone_Chair_STD_wB97XD-def2SVPDr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 1.277695000000     -0.308554000000      0.104897000000
  C                                                 1.175743000000      1.198361000000     -0.017190000000
  C                                                -0.229896000000      1.635230000000     -0.460001000000
  C                                                -1.314447000000      1.003685000000      0.413155000000
  C                                                -1.220070000000     -0.528631000000      0.454249000000
  C                                                 0.183893000000     -0.956062000000      0.929807000000
  O                                                 2.160019000000     -0.945956000000     -0.423269000000
  H                                                 1.949005000000      1.548357000000     -0.699939000000
  H                                                 1.382913000000      1.620529000000      0.973456000000
  H                                                -0.380069000000      1.352660000000     -1.504779000000
  H                                                -0.302484000000      2.723979000000     -0.423105000000
  H                                                -2.302821000000      1.300947000000      0.053848000000
  H                                                -1.222375000000      1.391636000000      1.433196000000
  C                                                -1.562572000000     -1.173371000000     -0.890254000000
  H                                                -1.943141000000     -0.891173000000      1.190510000000
  H                                                 0.310624000000     -2.037815000000      0.892211000000
  H                                                 0.321376000000     -0.633428000000      1.968024000000
  H                                                -0.841880000000     -0.909433000000     -1.666448000000
  H                                                -2.551661000000     -0.861028000000     -1.231130000000
  H                                                -1.561715000000     -2.261533000000     -0.807673000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     20 NQM=       20 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          16           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           0           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1           1           1          12           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           0           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.093368
 Leave Link  101 at Fri Jul 23 17:58:16 2021, MaxMem= 10737418240 cpu:               2.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.277695   -0.308554    0.104897
      2          6           0        1.175743    1.198361   -0.017190
      3          6           0       -0.229896    1.635230   -0.460001
      4          6           0       -1.314447    1.003685    0.413155
      5          6           0       -1.220070   -0.528631    0.454249
      6          6           0        0.183893   -0.956062    0.929807
      7          8           0        2.160019   -0.945956   -0.423269
      8          1           0        1.949005    1.548357   -0.699939
      9          1           0        1.382913    1.620529    0.973456
     10          1           0       -0.380069    1.352660   -1.504779
     11          1           0       -0.302484    2.723979   -0.423105
     12          1           0       -2.302821    1.300947    0.053848
     13          1           0       -1.222375    1.391636    1.433196
     14          6           0       -1.562572   -1.173371   -0.890254
     15          1           0       -1.943141   -0.891173    1.190510
     16          1           0        0.310624   -2.037815    0.892211
     17          1           0        0.321376   -0.633428    1.968024
     18          1           0       -0.841880   -0.909433   -1.666448
     19          1           0       -2.551661   -0.861028   -1.231130
     20          1           0       -1.561715   -2.261533   -0.807673
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.515286   0.000000
     3  C    2.523933   1.537126   0.000000
     4  C    2.921677   2.534589   1.528889   0.000000
     5  C    2.531662   2.990765   2.549234   1.535770   0.000000
     6  C    1.515304   2.553842   2.969441   2.520429   1.542713
     7  O    1.209850   2.394117   3.517892   4.070948   3.516987
     8  H    2.132261   1.089301   2.193793   3.490811   3.960942
     9  H    2.118213   1.096597   2.157816   2.823152   3.415258
    10  H    2.845851   2.158073   1.092684   2.161786   2.843000
    11  H    3.460059   2.162737   1.091790   2.163980   3.491588
    12  H    3.925964   3.480801   2.161667   1.092863   2.163337
    13  H    3.302329   2.809261   2.151406   1.095202   2.155404
    14  C    3.131350   3.726355   3.138373   2.549512   1.529930
    15  H    3.448447   3.943619   3.470174   2.142434   1.093777
    16  H    2.132002   3.471063   3.951190   3.481533   2.193735
    17  H    2.119276   2.833102   3.368385   2.788131   2.162996
    18  H    2.826892   3.351664   2.881900   2.864976   2.187554
    19  H    4.093185   4.428123   3.495216   2.776963   2.173505
    20  H    3.564991   4.482121   4.132721   3.494740   2.170741
                    6          7          8          9         10
     6  C    0.000000
     7  O    2.394993   0.000000
     8  H    3.470419   2.518466   0.000000
     9  H    2.842248   3.023505   1.768027   0.000000
    10  H    3.402273   3.592401   2.471973   3.053114   0.000000
    11  H    3.950903   4.419541   2.554981   2.451234   1.748300
    12  H    3.470611   5.019278   4.325209   3.812145   2.475675
    13  H    2.782566   4.511251   3.825242   2.655424   3.056582
    14  C    2.531795   3.758654   4.446931   4.467121   2.856009
    15  H    2.143933   4.409445   4.967283   4.173535   3.839605
    16  H    1.089800   2.518513   4.252042   3.813120   4.209268
    17  H    1.095851   3.032584   3.811481   2.682601   4.061641
    18  H    2.791939   3.249342   3.842383   4.280129   2.314405
    19  H    3.487397   4.781190   5.132572   5.147737   3.113055
    20  H    2.787515   3.966083   5.181894   5.187838   3.865829
                   11         12         13         14         15
    11  H    0.000000
    12  H    2.500770   0.000000
    13  H    2.463167   1.754477   0.000000
    14  C    4.122546   2.749827   3.477559   0.000000
    15  H    4.285421   2.495348   2.406162   2.134021   0.000000
    16  H    4.978016   4.322069   3.795245   2.726409   2.546218
    17  H    4.168799   3.780514   2.601940   3.465624   2.408111
    18  H    3.877955   3.159042   3.879109   1.091576   3.061914
    19  H    4.308593   2.527296   3.733648   1.091811   2.497107
    20  H    5.156441   3.739348   4.299103   1.091291   2.452775
                   16         17         18         19         20
    16  H    0.000000
    17  H    1.769122   0.000000
    18  H    3.024607   3.826059   0.000000
    19  H    3.753143   4.305895   1.764992   0.000000
    20  H    2.538761   3.728438   1.756084   1.766557   0.000000
 Stoichiometry    C7H12O
 Framework group  C1[X(C7H12O)]
 Deg. of freedom    54
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 5.89D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.277695   -0.308554    0.104897
      2          6           0        1.175743    1.198361   -0.017190
      3          6           0       -0.229896    1.635230   -0.460001
      4          6           0       -1.314447    1.003685    0.413155
      5          6           0       -1.220070   -0.528631    0.454249
      6          6           0        0.183893   -0.956062    0.929807
      7          8           0        2.160019   -0.945956   -0.423269
      8          1           0        1.949005    1.548357   -0.699939
      9          1           0        1.382913    1.620529    0.973456
     10          1           0       -0.380069    1.352660   -1.504779
     11          1           0       -0.302484    2.723979   -0.423105
     12          1           0       -2.302821    1.300947    0.053848
     13          1           0       -1.222375    1.391636    1.433196
     14          6           0       -1.562572   -1.173371   -0.890254
     15          1           0       -1.943141   -0.891173    1.190510
     16          1           0        0.310624   -2.037815    0.892211
     17          1           0        0.321376   -0.633428    1.968024
     18          1           0       -0.841880   -0.909433   -1.666448
     19          1           0       -2.551661   -0.861028   -1.231130
     20          1           0       -1.561715   -2.261533   -0.807673
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.7433685           1.9933769           1.4701036
 Leave Link  202 at Fri Jul 23 17:58:17 2021, MaxMem= 10737418240 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8      9     10     11     12     13     15     16     17     18
 Centers:      19     20
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6     14
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       7
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   275 symmetry adapted cartesian basis functions of A   symmetry.
 There are   259 symmetry adapted basis functions of A   symmetry.
   259 basis functions,   379 primitive gaussians,   275 cartesian basis functions
    31 alpha electrons       31 beta electrons
       nuclear repulsion energy       394.1249269825 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   20 NActive=   20 NUniq=   20 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0141161694 Hartrees.
 Nuclear repulsion after empirical dispersion term =      394.1108108131 Hartrees.
 Leave Link  301 at Fri Jul 23 17:58:18 2021, MaxMem= 10737418240 cpu:              13.8 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   259 RedAO= T EigKep=  5.77D-05  NBF=   259
 NBsUse=   259 1.00D-06 EigRej= -1.00D+00 NBFU=   259
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   275   275   275   275   275 MxSgAt=    20 MxSgA2=    20.
 Leave Link  302 at Fri Jul 23 17:58:19 2021, MaxMem= 10737418240 cpu:               6.2 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Fri Jul 23 17:58:19 2021, MaxMem= 10737418240 cpu:               1.1 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "19_methylcyclohexanone_Chair_STD_wB97XD-def2SVPDr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Fri Jul 23 17:58:20 2021, MaxMem= 10737418240 cpu:               5.6 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot= 10737418240 LenX= 10737259776 LenY= 10737183710
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -348.866011342474    
 DIIS: error= 4.43D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -348.866011342474     IErMin= 1 ErrMin= 4.43D-03
 ErrMax= 4.43D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.67D-03 BMatP= 8.67D-03
 IDIUse=3 WtCom= 9.56D-01 WtEn= 4.43D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.376 Goal=   None    Shift=    0.000
 GapD=    0.376 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=4.03D-03 MaxDP=1.11D-01              OVMax= 1.52D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  4.02D-03    CP:  9.88D-01
 E= -348.873223920228     Delta-E=       -0.007212577754 Rises=F Damp=F
 DIIS: error= 7.82D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -348.873223920228     IErMin= 2 ErrMin= 7.82D-04
 ErrMax= 7.82D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.40D-04 BMatP= 8.67D-03
 IDIUse=3 WtCom= 9.92D-01 WtEn= 7.82D-03
 Coeff-Com: -0.201D-01 0.102D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.199D-01 0.102D+01
 Gap=     0.378 Goal=   None    Shift=    0.000
 RMSDP=5.23D-04 MaxDP=1.63D-02 DE=-7.21D-03 OVMax= 7.80D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  3.49D-04    CP:  9.88D-01  1.10D+00
 E= -348.873430876507     Delta-E=       -0.000206956279 Rises=F Damp=F
 DIIS: error= 8.01D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -348.873430876507     IErMin= 2 ErrMin= 7.82D-04
 ErrMax= 8.01D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.20D-04 BMatP= 2.40D-04
 IDIUse=3 WtCom= 9.92D-01 WtEn= 8.01D-03
 Coeff-Com: -0.456D-01 0.508D+00 0.537D+00
 Coeff-En:   0.000D+00 0.676D-01 0.932D+00
 Coeff:     -0.452D-01 0.505D+00 0.540D+00
 Gap=     0.375 Goal=   None    Shift=    0.000
 RMSDP=9.50D-05 MaxDP=3.71D-03 DE=-2.07D-04 OVMax= 3.25D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  7.75D-05    CP:  9.88D-01  1.11D+00  1.04D+00
 E= -348.873581862102     Delta-E=       -0.000150985595 Rises=F Damp=F
 DIIS: error= 2.10D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -348.873581862102     IErMin= 4 ErrMin= 2.10D-04
 ErrMax= 2.10D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.38D-05 BMatP= 2.20D-04
 IDIUse=3 WtCom= 9.98D-01 WtEn= 2.10D-03
 Coeff-Com: -0.172D-01 0.112D+00 0.226D+00 0.680D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.171D-01 0.111D+00 0.225D+00 0.680D+00
 Gap=     0.375 Goal=   None    Shift=    0.000
 RMSDP=3.42D-05 MaxDP=1.15D-03 DE=-1.51D-04 OVMax= 9.14D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  2.62D-05    CP:  9.88D-01  1.11D+00  1.09D+00  1.01D+00
 E= -348.873592447311     Delta-E=       -0.000010585209 Rises=F Damp=F
 DIIS: error= 6.35D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -348.873592447311     IErMin= 5 ErrMin= 6.35D-05
 ErrMax= 6.35D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.64D-06 BMatP= 1.38D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.460D-03-0.338D-01-0.417D-02 0.267D+00 0.770D+00
 Coeff:      0.460D-03-0.338D-01-0.417D-02 0.267D+00 0.770D+00
 Gap=     0.375 Goal=   None    Shift=    0.000
 RMSDP=1.56D-05 MaxDP=6.10D-04 DE=-1.06D-05 OVMax= 3.18D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.18D-05    CP:  9.88D-01  1.11D+00  1.11D+00  1.04D+00  9.24D-01
 E= -348.873594159485     Delta-E=       -0.000001712174 Rises=F Damp=F
 DIIS: error= 1.16D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -348.873594159485     IErMin= 6 ErrMin= 1.16D-05
 ErrMax= 1.16D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.72D-08 BMatP= 1.64D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.103D-02-0.166D-01-0.124D-01 0.416D-01 0.239D+00 0.748D+00
 Coeff:      0.103D-02-0.166D-01-0.124D-01 0.416D-01 0.239D+00 0.748D+00
 Gap=     0.375 Goal=   None    Shift=    0.000
 RMSDP=4.49D-06 MaxDP=1.06D-04 DE=-1.71D-06 OVMax= 7.61D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  3.28D-06    CP:  9.88D-01  1.11D+00  1.12D+00  1.05D+00  9.70D-01
                    CP:  9.45D-01
 E= -348.873594231899     Delta-E=       -0.000000072414 Rises=F Damp=F
 DIIS: error= 2.40D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -348.873594231899     IErMin= 7 ErrMin= 2.40D-06
 ErrMax= 2.40D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.85D-09 BMatP= 6.72D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.162D-03-0.120D-02-0.959D-03-0.678D-02 0.523D-02 0.133D+00
 Coeff-Com:  0.870D+00
 Coeff:      0.162D-03-0.120D-02-0.959D-03-0.678D-02 0.523D-02 0.133D+00
 Coeff:      0.870D+00
 Gap=     0.375 Goal=   None    Shift=    0.000
 RMSDP=1.05D-06 MaxDP=3.56D-05 DE=-7.24D-08 OVMax= 2.40D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  6.34D-07    CP:  9.88D-01  1.11D+00  1.12D+00  1.04D+00  9.82D-01
                    CP:  9.87D-01  1.12D+00
 E= -348.873594235966     Delta-E=       -0.000000004066 Rises=F Damp=F
 DIIS: error= 8.02D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -348.873594235966     IErMin= 8 ErrMin= 8.02D-07
 ErrMax= 8.02D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.10D-10 BMatP= 2.85D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.584D-04 0.144D-02 0.125D-02-0.785D-02-0.263D-01-0.461D-01
 Coeff-Com:  0.282D+00 0.796D+00
 Coeff:     -0.584D-04 0.144D-02 0.125D-02-0.785D-02-0.263D-01-0.461D-01
 Coeff:      0.282D+00 0.796D+00
 Gap=     0.375 Goal=   None    Shift=    0.000
 RMSDP=4.20D-07 MaxDP=1.42D-05 DE=-4.07D-09 OVMax= 1.14D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  2.34D-07    CP:  9.88D-01  1.11D+00  1.12D+00  1.04D+00  9.85D-01
                    CP:  1.00D+00  1.19D+00  1.08D+00
 E= -348.873594236653     Delta-E=       -0.000000000688 Rises=F Damp=F
 DIIS: error= 1.41D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -348.873594236653     IErMin= 9 ErrMin= 1.41D-07
 ErrMax= 1.41D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.67D-11 BMatP= 5.10D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.228D-04 0.374D-03 0.345D-03-0.127D-02-0.534D-02-0.167D-01
 Coeff-Com: -0.160D-02 0.138D+00 0.886D+00
 Coeff:     -0.228D-04 0.374D-03 0.345D-03-0.127D-02-0.534D-02-0.167D-01
 Coeff:     -0.160D-02 0.138D+00 0.886D+00
 Gap=     0.375 Goal=   None    Shift=    0.000
 RMSDP=8.46D-08 MaxDP=2.33D-06 DE=-6.88D-10 OVMax= 3.29D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  5.15D-08    CP:  9.88D-01  1.11D+00  1.12D+00  1.04D+00  9.85D-01
                    CP:  1.00D+00  1.20D+00  1.13D+00  1.09D+00
 E= -348.873594236695     Delta-E=       -0.000000000042 Rises=F Damp=F
 DIIS: error= 5.15D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -348.873594236695     IErMin=10 ErrMin= 5.15D-08
 ErrMax= 5.15D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.39D-12 BMatP= 1.67D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.153D-05-0.657D-04-0.486D-04 0.426D-03 0.146D-02 0.213D-02
 Coeff-Com: -0.210D-01-0.494D-01 0.958D-01 0.971D+00
 Coeff:      0.153D-05-0.657D-04-0.486D-04 0.426D-03 0.146D-02 0.213D-02
 Coeff:     -0.210D-01-0.494D-01 0.958D-01 0.971D+00
 Gap=     0.375 Goal=   None    Shift=    0.000
 RMSDP=2.64D-08 MaxDP=7.66D-07 DE=-4.18D-11 OVMax= 1.80D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.80D-08    CP:  9.88D-01  1.11D+00  1.12D+00  1.04D+00  9.85D-01
                    CP:  1.00D+00  1.20D+00  1.15D+00  1.15D+00  1.07D+00
 E= -348.873594236703     Delta-E=       -0.000000000008 Rises=F Damp=F
 DIIS: error= 1.64D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -348.873594236703     IErMin=11 ErrMin= 1.64D-08
 ErrMax= 1.64D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.09D-13 BMatP= 1.39D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.237D-05-0.444D-04-0.388D-04 0.175D-03 0.686D-03 0.182D-02
 Coeff-Com: -0.269D-02-0.194D-01-0.673D-01 0.127D+00 0.960D+00
 Coeff:      0.237D-05-0.444D-04-0.388D-04 0.175D-03 0.686D-03 0.182D-02
 Coeff:     -0.269D-02-0.194D-01-0.673D-01 0.127D+00 0.960D+00
 Gap=     0.375 Goal=   None    Shift=    0.000
 RMSDP=8.91D-09 MaxDP=2.54D-07 DE=-7.73D-12 OVMax= 9.17D-07

 SCF Done:  E(RwB97XD) =  -348.873594237     A.U. after   11 cycles
            NFock= 11  Conv=0.89D-08     -V/T= 2.0117
 KE= 3.448291617304D+02 PE=-1.596967173917D+03 EE= 5.091536071367D+02
 Leave Link  502 at Fri Jul 23 17:59:13 2021, MaxMem= 10737418240 cpu:             848.6 elap:              53.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   259
 NBasis=   259 NAE=    31 NBE=    31 NFC=     0 NFV=     0
 NROrb=    259 NOA=    31 NOB=    31 NVA=   228 NVB=   228

 **** Warning!!: The largest alpha MO coefficient is  0.26540601D+02

 Leave Link  801 at Fri Jul 23 17:59:14 2021, MaxMem= 10737418240 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         6052 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=   10737418240 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.093368
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          20
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.18D-13 8.33D-09 XBig12= 1.00D+00 2.03D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.18D-13 8.33D-09 XBig12= 1.33D-01 9.57D-02.
     11 vectors produced by pass  2 Test12= 1.18D-13 8.33D-09 XBig12= 1.80D-02 2.57D-02.
     11 vectors produced by pass  3 Test12= 1.18D-13 8.33D-09 XBig12= 1.30D-03 6.77D-03.
     11 vectors produced by pass  4 Test12= 1.18D-13 8.33D-09 XBig12= 6.01D-05 1.55D-03.
     11 vectors produced by pass  5 Test12= 1.18D-13 8.33D-09 XBig12= 1.51D-06 3.09D-04.
     11 vectors produced by pass  6 Test12= 1.18D-13 8.33D-09 XBig12= 4.81D-08 4.09D-05.
     11 vectors produced by pass  7 Test12= 1.18D-13 8.33D-09 XBig12= 1.22D-09 5.13D-06.
     11 vectors produced by pass  8 Test12= 1.18D-13 8.33D-09 XBig12= 2.51D-11 7.39D-07.
     10 vectors produced by pass  9 Test12= 1.18D-13 8.33D-09 XBig12= 3.66D-13 9.73D-08.
      3 vectors produced by pass 10 Test12= 1.18D-13 8.33D-09 XBig12= 6.93D-15 1.07D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.13D-14
 Solved reduced A of dimension   112 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.093368:
                1             2             3 
      1  0.894979D+02
      2 -0.163114D+01  0.869409D+02
      3 -0.230911D+01  0.496067D+00  0.758414D+02
 Isotropic polarizability for W=    0.093368       84.09 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.093368:
                 1             2             3 
      1  -0.262935D+02 -0.192850D+02 -0.247812D+02
      2   0.153315D+02  0.204280D+02  0.147600D+01
      3   0.109620D+02 -0.114292D+01  0.233052D+02
      4  -0.345177D+01 -0.220315D+02 -0.135271D+01
      5  -0.222040D+02 -0.131132D+01 -0.335588D+02
      6   0.603484D+00 -0.307273D+01  0.774934D+01
 Dipole-magnetic dipole polarizability for W=    0.093368:
                 1             2             3 
      1  -0.709495D+00  0.384724D+01 -0.335541D+01
      2  -0.119701D+02  0.611150D-01 -0.162162D+02
      3   0.108941D+02  0.117325D+02  0.886113D+00
 DQ contribution to OR G for W=    0.093368:
                 1             2             3 
      1   0.413883D-01 -0.454873D+01 -0.889226D+01
      2  -0.257717D+01 -0.195619D+01 -0.445208D+02
      3   0.158333D+02  0.373630D+02  0.191480D+01
 Optical Rotation G' tensor for W=    0.093368:
                 1             2             3 
      1   0.483961D+00  0.113998D+01 -0.101705D+01
      2   0.113998D+01 -0.400739D+00  0.226204D+00
      3  -0.101705D+01  0.226204D+00  0.154511D+00
 OR G Eigenvalues:    -1.5589     0.1417     1.6549  Iso=    -0.0792
 Eigenvectors:
   (1)  -0.594742   0.671693  -0.441713
   (2)   0.150288   0.632662   0.759705
   (3)   0.789744   0.385445  -0.477218
 w=    0.093368 a.u., Optical Rotation Beta=     -0.0792 au.
 Molar Mass =    112.1712 grams/mole, [Alpha] ( 4880.0 A) =      -39.82 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   33670 ScalPx= 1.99D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   33670 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 7.18D+02
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 1.96D-14 2.78D-09 XBig12= 1.00D+00 3.25D-01.
     30 vectors produced by pass  1 Test12= 1.96D-14 2.78D-09 XBig12= 7.82D-02 3.07D-02.
     30 vectors produced by pass  2 Test12= 1.96D-14 2.78D-09 XBig12= 2.79D-03 6.61D-03.
     30 vectors produced by pass  3 Test12= 1.96D-14 2.78D-09 XBig12= 2.39D-05 8.03D-04.
     30 vectors produced by pass  4 Test12= 1.96D-14 2.78D-09 XBig12= 2.52D-07 6.73D-05.
     30 vectors produced by pass  5 Test12= 1.96D-14 2.78D-09 XBig12= 2.11D-09 6.63D-06.
     30 vectors produced by pass  6 Test12= 1.96D-14 2.78D-09 XBig12= 1.57D-11 3.94D-07.
     30 vectors produced by pass  7 Test12= 1.96D-14 2.78D-09 XBig12= 9.05D-14 3.54D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.55D-15
 Solved reduced A of dimension   240 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   33670 ScalPx= 9.54D+02
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   33670 ScalPx= 9.54D+02
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   33670 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 4.73D+02
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.894979D+02 -0.163114D+01 -0.230911D+01
      2  -0.163114D+01  0.869409D+02  0.496067D+00
      3  -0.230911D+01  0.496067D+00  0.758414D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1  -0.709495D+00  0.384724D+01 -0.335541D+01
      2  -0.119701D+02  0.611150D-01 -0.162162D+02
      3   0.108941D+02  0.117325D+02  0.886113D+00
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1  -0.262935D+02 -0.192850D+02 -0.247812D+02
      2   0.153315D+02  0.204280D+02  0.147600D+01
      3   0.109620D+02 -0.114292D+01  0.233052D+02
      4  -0.345177D+01 -0.220315D+02 -0.135271D+01
      5  -0.222040D+02 -0.131132D+01 -0.335588D+02
      6   0.603484D+00 -0.307273D+01  0.774934D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    60 ND12= 1 LenFil=    2163:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.412698D+01  0.453910D+01  0.100982D+01  0.469584D+01 -0.164790D+01
      2   0.453910D+01 -0.474021D+00 -0.228221D+01 -0.164790D+01 -0.232671D+01
      3   0.100982D+01 -0.228221D+01  0.301982D+00 -0.208320D+01  0.158025D+01
                 6             7             8             9            10 
      1  -0.208320D+01  0.171529D+01 -0.262216D+01 -0.217921D+00  0.318167D+00
      2   0.158025D+01 -0.262216D+01  0.112140D+01  0.189804D+01 -0.387248D+01
      3   0.178395D+01 -0.217921D+00  0.189804D+01  0.118830D+01  0.254399D+01
                11            12            13            14            15 
      1  -0.387248D+01  0.254399D+01 -0.361943D+01  0.507762D+00  0.753542D+00
      2  -0.372074D+00  0.553157D+00  0.507762D+00  0.244851D+01 -0.142749D+01
      3   0.553157D+00 -0.262039D+01  0.753542D+00 -0.142749D+01 -0.240450D+01
                16            17            18            19            20 
      1   0.397118D+01  0.450171D+00 -0.305812D+01 -0.294965D+01  0.324627D+01
      2   0.450171D+00 -0.160072D+01 -0.342721D+01  0.324627D+01 -0.303245D+00
      3  -0.305812D+01 -0.342721D+01 -0.303472D+01 -0.179021D+01 -0.152509D+00
                21            22            23            24            25 
      1  -0.179021D+01  0.221247D+01  0.886744D+00 -0.156926D+00 -0.203676D+01
      2  -0.152509D+00  0.886744D+00 -0.752822D+01  0.481669D+00  0.253054D-01
      3   0.167804D+01 -0.156926D+00  0.481669D+00  0.192815D+01  0.172658D+01
                26            27            28            29            30 
      1   0.253054D-01  0.172658D+01  0.578652D+01 -0.346819D+01  0.283302D+01
      2  -0.546422D+00  0.196607D+01 -0.346819D+01  0.176999D+00 -0.936484D-01
      3   0.196607D+01  0.571997D+01  0.283302D+01 -0.936484D-01 -0.934991D+00
                31            32            33            34            35 
      1  -0.326768D+01 -0.214733D+00  0.770096D-01  0.385917D+01 -0.252237D+00
      2  -0.214733D+00  0.428386D+01 -0.297644D+00 -0.252237D+00 -0.760844D+00
      3   0.770096D-01 -0.297644D+00 -0.270987D+01 -0.565177D+00 -0.351551D+01
                36            37            38            39            40 
      1  -0.565177D+00 -0.392993D+01  0.289425D+01 -0.352218D+01  0.395183D+01
      2  -0.351551D+01  0.289425D+01  0.977683D+00  0.467936D-01  0.819204D+00
      3  -0.555454D+01 -0.352218D+01  0.467936D-01  0.264453D+01 -0.172376D+00
                41            42            43            44            45 
      1   0.819204D+00 -0.172376D+00 -0.461720D+01 -0.129772D+00  0.327049D+01
      2  -0.472538D+01 -0.351908D-01 -0.129772D+00  0.336438D+00  0.357654D+01
      3  -0.351908D-01  0.316801D+01  0.327049D+01  0.357654D+01  0.114663D+01
                46            47            48            49            50 
      1   0.448828D+01 -0.271361D+01  0.155043D+01 -0.188938D+01 -0.169931D+01
      2  -0.271361D+01 -0.170474D+01  0.612496D+00 -0.169931D+01  0.723982D+01
      3   0.155043D+01  0.612496D+00 -0.132230D+01  0.326968D+00 -0.255779D+00
                51            52            53            54            55 
      1   0.326968D+00  0.131330D+01  0.219241D+00 -0.589151D+00  0.113567D+02
      2  -0.255779D+00  0.219241D+00  0.689617D+00 -0.224970D+01 -0.476364D+01
      3  -0.271529D+01 -0.589151D+00 -0.224970D+01 -0.539330D+01 -0.271550D+01
                56            57            58            59            60 
      1  -0.476364D+01 -0.271550D+01 -0.513767D+01  0.441675D+01  0.155365D+01
      2   0.308434D+01  0.130818D+01  0.441675D+01 -0.447599D+01 -0.198030D+01
      3   0.130818D+01  0.170361D+01  0.155365D+01 -0.198030D+01 -0.176017D+01
                61            62            63            64            65 
      1  -0.382809D+01  0.206259D+01  0.336243D+01  0.557869D+01  0.241754D+01
      2   0.206259D+01 -0.191746D+01 -0.262006D+01  0.241754D+01  0.206238D+01
      3   0.336243D+01 -0.262006D+01 -0.340722D+01 -0.234561D+01 -0.973780D+00
                66            67            68            69            70 
      1  -0.234561D+01  0.176506D+01  0.164807D+01 -0.561640D+00 -0.342143D+01
      2  -0.973780D+00  0.164807D+01  0.153436D+01 -0.925232D+00 -0.130644D+01
      3   0.186490D+01 -0.561640D+00 -0.925232D+00  0.985870D+00  0.234485D+01
                71            72            73            74            75 
      1  -0.130644D+01  0.234485D+01  0.769502D+00  0.156423D+01  0.978663D+00
      2  -0.158039D+01  0.168246D+01  0.156423D+01  0.567220D+00  0.493498D+00
      3   0.168246D+01 -0.240708D+01  0.978663D+00  0.493498D+00  0.998154D+00
                76            77            78            79            80 
      1   0.144852D+01  0.665250D+00  0.521445D+00  0.171922D+01  0.814156D+00
      2   0.665250D+00  0.227942D+01  0.187260D+01  0.814156D+00  0.333039D+01
      3   0.521445D+00  0.187260D+01  0.195826D+01  0.191558D+01  0.271378D+01
                81            82            83            84            85 
      1   0.191558D+01 -0.308686D+00 -0.479320D+00 -0.863038D+00 -0.847136D+00
      2   0.271378D+01 -0.479320D+00 -0.189486D+00  0.837149D-01 -0.454435D+00
      3   0.546329D+01 -0.863038D+00  0.837149D-01 -0.834621D+00 -0.183813D+00
                86            87            88            89            90 
      1  -0.454435D+00 -0.183813D+00 -0.152671D+01 -0.989956D-01 -0.116606D+01
      2   0.135739D+00 -0.102298D+01 -0.989956D-01 -0.130652D+01  0.250794D+00
      3  -0.102298D+01 -0.109972D+01 -0.116606D+01  0.250794D+00 -0.767410D+01
                91            92            93            94            95 
      1  -0.127802D+00  0.120839D+01  0.182456D+00  0.150059D+01 -0.937289D+00
      2   0.120839D+01 -0.697945D+00  0.459694D-01 -0.937289D+00  0.118594D+02
      3   0.182456D+00  0.459694D-01 -0.330312D+00  0.893154D-01 -0.117193D+01
                96            97            98            99           100 
      1   0.893154D-01  0.428637D+00 -0.118252D-01 -0.364999D+00 -0.918102D+01
      2  -0.117193D+01 -0.118252D-01  0.934101D-01  0.110887D+01  0.279392D+01
      3   0.952913D+00 -0.364999D+00  0.110887D+01 -0.735761D+00 -0.114382D+01
               101           102           103           104           105 
      1   0.279392D+01 -0.114382D+01  0.206341D+01 -0.192184D+01  0.133909D+00
      2  -0.227156D+01  0.252391D+00 -0.192184D+01  0.109418D+01 -0.361655D+00
      3   0.252391D+00 -0.106708D+01  0.133909D+00 -0.361655D+00  0.653655D+00
               106           107           108           109           110 
      1  -0.238371D+01  0.690060D+00 -0.130216D+01 -0.402580D+00  0.927960D+00
      2   0.690060D+00 -0.914232D+00  0.955357D+00  0.927960D+00  0.295446D+00
      3  -0.130216D+01  0.955357D+00 -0.327934D+00  0.714892D+00  0.624032D-01
               111           112           113           114           115 
      1   0.714892D+00  0.913619D+00 -0.114073D+00 -0.340691D+00  0.111716D+01
      2   0.624032D-01 -0.114073D+00  0.157447D+01  0.194992D+01 -0.287047D+00
      3   0.437481D+00 -0.340691D+00  0.194992D+01  0.228076D+01 -0.832972D+00
               116           117           118           119           120 
      1  -0.287047D+00 -0.832972D+00  0.444602D+01 -0.206127D+01  0.371746D+01
      2   0.279437D+01  0.292577D+01 -0.206127D+01 -0.400483D+00 -0.439465D+00
      3   0.292577D+01  0.748934D+01  0.371746D+01 -0.439465D+00 -0.157193D+01
               121           122           123           124           125 
      1  -0.273074D+01  0.336312D+00 -0.804988D+00  0.330182D+01 -0.488459D+00
      2   0.336312D+00  0.718427D+01 -0.266009D+00 -0.488459D+00 -0.133487D+01
      3  -0.804988D+00 -0.266009D+00 -0.245015D+01 -0.229992D+01 -0.276753D+01
               126           127           128           129           130 
      1  -0.229992D+01 -0.488880D+01 -0.191082D+01  0.302697D+01 -0.197665D+01
      2  -0.276753D+01 -0.191082D+01 -0.163894D+01  0.756901D+00 -0.173439D+01
      3  -0.438378D+00  0.302697D+01  0.756901D+00 -0.288523D+01  0.799513D+00
               131           132           133           134           135 
      1  -0.173439D+01  0.799513D+00  0.343019D+01  0.922926D+00 -0.304819D+01
      2  -0.113786D+01  0.129410D+01  0.922926D+00  0.137288D+01 -0.173902D+01
      3   0.129410D+01 -0.165210D+01 -0.304819D+01 -0.173902D+01  0.405278D+01
               136           137           138           139           140 
      1   0.244310D+00 -0.111284D+01 -0.114395D+00 -0.148937D+01  0.961603D+00
      2  -0.111284D+01  0.113820D+01 -0.306992D+00  0.961603D+00 -0.926971D+01
      3  -0.114395D+00 -0.306992D+00  0.255482D+00 -0.347890D+00  0.144191D+01
               141           142           143           144           145 
      1  -0.347890D+00 -0.387835D+00 -0.235771D-01  0.224354D+00 -0.416998D+00
      2   0.144191D+01 -0.235771D-01 -0.218038D+00 -0.931226D+00  0.537311D+00
      3  -0.128198D+01  0.224354D+00 -0.931226D+00  0.832997D+00  0.109554D+01
               146           147           148           149           150 
      1   0.537311D+00  0.109554D+01  0.122201D+01  0.344840D+00  0.114004D-01
      2   0.214758D+00 -0.147550D+00  0.344840D+00 -0.125285D-01  0.112285D+01
      3  -0.147550D+00  0.106318D+01  0.114004D-01  0.112285D+01  0.177213D+01
               151           152           153           154           155 
      1   0.152810D+01  0.936349D-01  0.784026D+00  0.213402D+01  0.735722D+00
      2   0.936349D-01  0.125454D+01  0.320711D+00  0.735722D+00  0.107887D+01
      3   0.784026D+00  0.320711D+00  0.918310D+01 -0.152737D+01  0.138695D+00
               156           157           158           159           160 
      1  -0.152737D+01  0.826655D+00  0.528115D+00 -0.494252D-01 -0.188082D+01
      2   0.138695D+00  0.528115D+00 -0.298498D+00 -0.536336D+00 -0.277127D+00
      3   0.267745D+01 -0.494252D-01 -0.536336D+00  0.920163D+00  0.141540D+01
               161           162           163           164           165 
      1  -0.277127D+00  0.141540D+01 -0.806495D+01  0.367874D+00 -0.320193D+01
      2  -0.984611D+00  0.249812D+00  0.367874D+00 -0.144483D+01 -0.388667D-01
      3   0.249812D+00 -0.449823D+01 -0.320193D+01 -0.388667D-01 -0.227767D+01
               166           167           168           169           170 
      1   0.175987D+01 -0.995842D+00  0.763853D+00 -0.220893D+01  0.156174D+00
      2  -0.995842D+00  0.284667D-02 -0.359732D+00  0.156174D+00 -0.217359D+00
      3   0.763853D+00 -0.359732D+00  0.102666D+01 -0.172539D+01  0.330453D+00
               171           172           173           174           175 
      1  -0.172539D+01 -0.724861D+00 -0.850401D+00 -0.429177D+00 -0.140184D+01
      2   0.330453D+00 -0.850401D+00 -0.985634D-01  0.808255D-01 -0.139484D+01
      3  -0.165644D+01 -0.429177D+00  0.808255D-01  0.219707D+00 -0.329658D+00
               176           177           178           179           180 
      1  -0.139484D+01 -0.329658D+00 -0.926002D-01  0.633864D-01  0.126368D+00
      2  -0.986202D+01 -0.110302D+01  0.633864D-01  0.388418D+00 -0.728407D+00
      3  -0.110302D+01 -0.135675D+01  0.126368D+00 -0.728407D+00  0.512990D-01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.718771D+01  0.889130D+01 -0.258591D+01  0.849068D+01 -0.152841D+01
      2  -0.826131D+01 -0.899054D+01 -0.178065D+01 -0.796452D+01  0.161275D+01
      3  -0.433550D+01 -0.697683D+01  0.274780D+01  0.142310D+01 -0.177575D+01
                 6             7             8             9            10 
      1   0.673387D+01 -0.165855D+01  0.138831D+02 -0.392762D+01 -0.665813D+01
      2  -0.271763D-01 -0.114170D+02 -0.148440D+01  0.116191D+02  0.826927D+01
      3  -0.744364D+01  0.100335D+01 -0.103777D+02  0.197958D+01  0.122914D+02
                11            12            13            14            15 
      1  -0.193015D+00  0.287850D+01 -0.291040D+01  0.170480D+01 -0.152508D+01
      2   0.128145D+01 -0.248063D+01  0.241181D+01 -0.239734D+01 -0.241058D+01
      3  -0.783017D+01  0.287915D+01 -0.171663D+00 -0.411971D+01  0.441093D+01
                16            17            18            19            20 
      1   0.308385D+01  0.845653D+01  0.611089D+01  0.485887D+01 -0.157944D+01
      2  -0.802312D+01 -0.412059D+01 -0.523478D+01 -0.105641D+01  0.160867D+01
      3   0.416040D+01  0.297260D+01 -0.249224D+00 -0.760102D+01  0.863995D+01
                21            22            23            24            25 
      1  -0.247434D+01  0.126281D+01  0.243617D+01 -0.671666D+01 -0.291336D+01
      2   0.254881D+00 -0.423490D+00  0.348390D+01 -0.102106D+01 -0.529198D+01
      3  -0.517492D+01  0.944699D+01  0.140117D+01 -0.193604D+01 -0.525711D+01
                26            27            28            29            30 
      1  -0.108001D+01 -0.121217D+02 -0.534101D+01  0.450491D+00  0.106434D+01
      2  -0.205258D+00  0.375027D+00 -0.984696D+01  0.123459D+01  0.249229D+01
      3  -0.160759D+01  0.341144D+01  0.351690D+00 -0.838968D+01  0.370297D+01
                31            32            33            34            35 
      1   0.746844D+00  0.366150D+01  0.165672D+01  0.510136D+00  0.730832D+01
      2   0.137722D+01  0.703326D+00  0.454653D+01 -0.378698D+01  0.557611D+01
      3  -0.203371D+01  0.721499D+01  0.769420D-01  0.458759D+01 -0.123137D+01
                36            37            38            39            40 
      1   0.501143D+01 -0.558612D+00  0.359347D+00  0.966685D+00  0.869603D+00
      2   0.797466D+01  0.132308D+02 -0.975310D+00  0.153963D+01 -0.586388D+01
      3  -0.566268D+01  0.763002D+01 -0.491650D+01  0.231997D+01 -0.700416D+00
                41            42            43            44            45 
      1  -0.341782D+01 -0.133704D+01 -0.104455D+01  0.637049D+01  0.227786D+01
      2  -0.168498D+01 -0.312720D+01 -0.193783D+01 -0.402743D+01 -0.213464D+01
      3  -0.950309D+01  0.131131D+01  0.473775D+01  0.106118D+01  0.268156D+01
                46            47            48            49            50 
      1  -0.610827D+00 -0.347422D+01 -0.244644D+01 -0.332205D+01  0.808383D+01
      2  -0.823629D+01  0.443547D+01  0.720716D+00  0.561145D+01  0.150193D+01
      3  -0.358411D+01  0.393697D+01 -0.214427D+01  0.104003D+02 -0.264640D+01
                51            52            53            54            55 
      1  -0.792948D+01  0.474993D+00 -0.945517D+00 -0.798095D+01 -0.432083D+01
      2   0.177544D+01 -0.838604D+01  0.505585D+00 -0.266671D+01 -0.268213D+01
      3   0.123385D+01 -0.339154D+01  0.105851D+01  0.575603D+00  0.865019D+00
                56            57            58            59            60 
      1  -0.417494D+01  0.390232D+01 -0.140721D+01  0.277445D+00 -0.707028D+01
      2   0.400899D+01  0.979521D+01  0.394383D+01 -0.339588D+01 -0.396537D+01
      3  -0.886466D+01 -0.743561D+00  0.836939D+00  0.101984D+02  0.336476D+01
                61            62            63            64            65 
      1   0.127976D+01 -0.887663D+00 -0.792140D+00  0.308460D+01  0.109340D+01
      2   0.425396D+01 -0.125624D+01 -0.102339D+02 -0.216572D+01 -0.218458D+01
      3   0.933589D+00  0.818735D+01  0.908593D+00  0.501768D+01 -0.255201D+01
                66            67            68            69            70 
      1  -0.330906D+01  0.126996D+01  0.114910D+01 -0.259650D+01 -0.347183D+01
      2   0.480229D+01 -0.704277D+00 -0.110674D+01  0.193976D+01  0.210937D+01
      3  -0.154673D+01  0.175364D+01  0.363591D+00  0.121298D+00 -0.347787D+01
                71            72            73            74            75 
      1  -0.487559D+00  0.360090D+01 -0.135465D+01 -0.847216D+00 -0.187481D+01
      2   0.229826D+01 -0.453937D+01  0.111676D+01  0.786270D+00  0.282137D+01
      3   0.144416D+01  0.585671D+00 -0.119170D+01  0.931612D+00  0.729103D+00
                76            77            78            79            80 
      1  -0.606459D+00 -0.137223D+01 -0.372335D+01 -0.281133D+01 -0.357374D+01
      2   0.373077D+00  0.194873D+01  0.286558D+01  0.963113D+00  0.509704D+01
      3   0.267767D+01 -0.220435D+01 -0.176118D+01  0.240806D+01 -0.253841D+01
                81            82            83            84            85 
      1  -0.910871D+01  0.184822D+01  0.869533D+00  0.193056D+01  0.121939D+01
      2   0.893389D+01 -0.840899D-01 -0.501083D+00  0.643491D+00 -0.151425D+01
      3  -0.316993D+00 -0.644984D+00 -0.303337D+01 -0.153853D+01 -0.167153D+01
                86            87            88            89            90 
      1   0.306737D+01  0.292834D+01  0.252797D+01  0.418460D+01  0.153030D+02
      2  -0.639987D+00 -0.135830D-01 -0.358677D+01 -0.476668D+00  0.790336D+00
      3  -0.319029D+00 -0.276164D+00 -0.289457D+01 -0.815218D+00 -0.181596D+01
                91            92            93            94            95 
      1  -0.970516D+00  0.317396D+00  0.468136D+00 -0.299144D+00 -0.212639D+01
      2  -0.600866D-02  0.378344D+00  0.109340D+01  0.180004D+01 -0.145313D+01
      3   0.672162D-01  0.872143D+00  0.884679D+00  0.697671D+01  0.136572D+00
                96            97            98            99           100 
      1  -0.423327D+01  0.344168D+00 -0.960936D+00  0.144985D+01  0.307515D+01
      2  -0.302014D+00 -0.234025D+00 -0.579385D+00 -0.195473D+00  0.596510D+01
      3  -0.309319D+00  0.160361D+01 -0.432490D+00 -0.538252D+00 -0.764866D+01
               101           102           103           104           105 
      1  -0.109670D+01  0.225201D+01 -0.113162D+01  0.908947D+00 -0.194476D+01
      2  -0.193231D+01  0.509262D+01 -0.983784D+00  0.139775D+01 -0.180058D+01
      3  -0.396407D+01 -0.900824D+00  0.954811D+00 -0.295944D+00 -0.579701D+00
               106           107           108           109           110 
      1   0.197018D+01 -0.424680D+00  0.112618D+01  0.524602D-01  0.653957D+00
      2   0.230289D+01 -0.211453D+01  0.174196D+01 -0.787127D+00 -0.629142D+00
      3  -0.257741D+01 -0.183042D+01  0.158909D+00  0.130936D+01  0.101772D+01
               111           112           113           114           115 
      1  -0.828823D+00  0.327504D+00 -0.580520D+00 -0.287601D+01  0.752788D+00
      2  -0.807381D-01 -0.708301D+00 -0.290120D+01 -0.315583D+01 -0.234119D+01
      3   0.685723D+00  0.280163D+01  0.186323D+01  0.243471D+01  0.188405D+01
               116           117           118           119           120 
      1   0.144402D+01 -0.779012D+01  0.870513D+01 -0.162752D+00 -0.265360D+01
      2  -0.401064D+01 -0.109773D+02 -0.298436D+01 -0.783006D+00  0.116103D+02
      3   0.413967D+01  0.312071D+01 -0.104908D+02  0.305268D+00 -0.682802D+01
               121           122           123           124           125 
      1  -0.286502D+01 -0.102530D+02 -0.688526D+01 -0.284652D+01 -0.161237D+01
      2  -0.705709D+00  0.102825D+01  0.395343D+01  0.684004D+01  0.493528D+01
      3   0.662262D+01  0.130569D+02  0.338254D+00 -0.586811D+01 -0.155228D+01
               126           127           128           129           130 
      1   0.326993D+01  0.336028D-01 -0.189570D+01 -0.127927D+01 -0.127982D+01
      2  -0.176595D+01  0.376855D+00  0.270333D+00  0.319725D+01  0.137603D+01
      3  -0.192873D+01  0.903208D+00 -0.335249D+01 -0.126763D+01  0.448670D+00
               131           132           133           134           135 
      1  -0.660070D+00 -0.135675D+01  0.363085D-01  0.173857D+01  0.950503D+00
      2  -0.353572D+00  0.248545D+01 -0.159706D+01  0.181536D+01 -0.364919D+01
      3  -0.100710D+01  0.149297D+01 -0.276551D+01  0.253763D+01 -0.356868D+00
               136           137           138           139           140 
      1  -0.808774D+00  0.627869D+00  0.156816D+00  0.318305D+00 -0.943705D+01
      2  -0.724584D+00  0.921577D+00  0.129286D+01  0.201937D+01 -0.787721D+00
      3  -0.109899D+01 -0.671532D+00  0.687202D+00  0.514313D+01  0.195480D+01
               141           142           143           144           145 
      1  -0.272889D+01  0.527747D+00 -0.238737D+00 -0.327538D+00  0.128395D+01
      2  -0.319972D+00 -0.472782D+00 -0.205017D+00 -0.141908D+00  0.111473D+01
      3   0.243968D+00  0.706099D+00  0.656858D+00  0.186500D+00  0.896939D+00
               146           147           148           149           150 
      1   0.264732D+00  0.220413D+01 -0.404804D+00  0.133666D+01  0.359123D+01
      2  -0.553340D+00 -0.925521D+00 -0.179412D+01 -0.645180D-01 -0.271041D+00
      3  -0.171449D+01 -0.162990D+01 -0.166306D+00 -0.273236D+00 -0.879226D+00
               151           152           153           154           155 
      1   0.720449D+00  0.435382D+01  0.115673D+02 -0.403714D+01 -0.289262D+01
      2  -0.354379D+01  0.292397D+00  0.134263D+00  0.784001D+01  0.147979D+01
      3  -0.140114D+01 -0.495284D+00 -0.202630D+01 -0.215149D+01 -0.701323D+00
               156           157           158           159           160 
      1   0.406293D+01 -0.146870D+01 -0.157565D+01  0.148356D+01  0.346156D+01
      2  -0.575249D+01  0.199364D+01  0.200220D+01 -0.172469D+01 -0.790267D+01
      3   0.233092D+01  0.415637D+00 -0.105017D+01 -0.709170D+00  0.220033D+01
               161           162           163           164           165 
      1   0.410766D+01 -0.676771D+01 -0.529847D+01  0.257059D+01 -0.282731D+01
      2  -0.158229D+01  0.909144D+01 -0.293147D+01  0.995146D+00  0.368637D+01
      3  -0.433949D+00 -0.195010D+01  0.107897D+02 -0.618278D+01  0.385254D+01
               166           167           168           169           170 
      1   0.177433D+01 -0.100228D+01  0.881928D+00 -0.231877D+01  0.195617D+01
      2   0.728503D+00 -0.163633D+00 -0.180382D+01 -0.144202D+01 -0.692208D+00
      3  -0.317386D+01  0.201703D+01 -0.121205D+01  0.338798D+01 -0.120286D+01
               171           172           173           174           175 
      1  -0.253882D+01 -0.170745D+00  0.217969D+00  0.393141D+00  0.570220D+00
      2   0.205219D+01  0.698475D+00 -0.603507D+00 -0.995710D-01 -0.972647D+00
      3   0.292995D+01 -0.559169D+00 -0.308661D-01  0.707022D+00  0.276818D+01
               176           177           178           179           180 
      1   0.907979D+01 -0.427541D+01  0.559253D+00 -0.114999D+00  0.934847D+00
      2   0.126987D+01  0.237674D+01 -0.125872D+01  0.105073D+01 -0.183992D-01
      3  -0.158280D+02 -0.107770D+01  0.204550D-01  0.459652D+00 -0.169339D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.229588D+02  0.118895D+02 -0.119168D+01  0.209367D+02 -0.729227D+01
      2   0.852444D+01 -0.300550D+01 -0.378962D+01 -0.147624D+02  0.778421D+00
      3   0.144343D+02 -0.888404D+01  0.498130D+01 -0.617430D+01  0.651385D+01
      4   0.241044D+02 -0.128851D+02 -0.766494D+01 -0.156356D+02  0.150042D+01
      5   0.938082D+01 -0.526296D+01 -0.443712D+01 -0.869362D+01  0.529537D+01
      6  -0.415816D+01  0.734066D+01  0.282178D+01  0.871513D+00 -0.383980D+01
                 6             7             8             9            10 
      1  -0.809537D+01  0.138843D+02 -0.883703D+01 -0.276589D+01  0.521394D+00
      2   0.448651D+01 -0.651927D+01  0.147605D+01 -0.284966D+01 -0.330587D+01
      3   0.360886D+01 -0.736500D+01  0.736098D+01  0.561555D+01  0.278447D+01
      4   0.381101D+01 -0.121851D+02  0.115109D+02  0.946554D+01 -0.958852D+01
      5   0.824333D+01  0.187965D+01  0.495546D+01  0.126300D+02  0.991833D+01
      6  -0.740635D+01  0.355594D+01 -0.248288D+01  0.202348D+00  0.911682D+01
                11            12            13            14            15 
      1  -0.784541D+01  0.885053D+01 -0.718814D+01 -0.279421D+01  0.558901D+01
      2   0.459997D+01 -0.459237D+01  0.448577D+01  0.118340D+02 -0.338336D+01
      3   0.324544D+01 -0.425816D+01  0.270237D+01 -0.903975D+01 -0.220565D+01
      4  -0.899345D+01  0.788792D+01 -0.224230D+01 -0.125409D+01 -0.266331D+01
      5   0.556470D+01 -0.986030D+01  0.426033D+01 -0.184503D+01 -0.855170D+01
      6  -0.143775D+01 -0.712866D+01  0.132134D+01 -0.237721D+01 -0.550042D+01
                16            17            18            19            20 
      1   0.874766D+01  0.834739D+01  0.819637D-01 -0.560517D+01 -0.150298D+01
      2  -0.426338D+01 -0.451726D+01 -0.154350D+01  0.780500D+01  0.301061D+01
      3  -0.448428D+01 -0.383012D+01  0.146153D+01 -0.219983D+01 -0.150763D+01
      4   0.938407D+01 -0.620654D+01 -0.180258D+02 -0.494122D+01  0.738819D+00
      5  -0.115844D+02 -0.121482D+02 -0.655621D+01  0.176201D+01 -0.159224D+01
      6  -0.943866D+01 -0.132608D+02 -0.124974D+02 -0.744992D+01 -0.520513D-01
                21            22            23            24            25 
      1   0.213035D+01 -0.176654D+01  0.248124D+02  0.465391D+00  0.271963D+01
      2   0.569629D-01  0.470836D+01 -0.461180D+02  0.446902D+01  0.571315D+00
      3  -0.218732D+01 -0.294182D+01  0.213056D+02 -0.493441D+01 -0.329094D+01
      4  -0.423602D+01  0.483511D+01  0.991594D+01 -0.124286D+01 -0.440948D+01
      5  -0.103867D+01 -0.133800D+00 -0.684172D+00 -0.780831D+00  0.472404D+00
      6   0.484393D+01 -0.195242D+01  0.717815D+01  0.679567D+01  0.393190D+01
                26            27            28            29            30 
      1   0.763570D+00  0.427438D+01 -0.214507D+02  0.132042D+02 -0.935729D+01
      2  -0.504466D+00  0.117068D+02  0.430345D+01 -0.700262D+01  0.621430D+01
      3  -0.259105D+00 -0.159812D+02  0.171473D+02 -0.620160D+01  0.314299D+01
      4   0.109852D+01  0.265585D+01  0.194635D+02 -0.698306D+01  0.581932D+01
      5  -0.593277D+00 -0.468304D+01 -0.929186D+01  0.649225D+00  0.356642D+01
      6   0.717280D+01  0.157554D+02  0.356967D+01  0.591326D+00 -0.277007D+01
                31            32            33            34            35 
      1   0.969284D+01 -0.260568D+01  0.500135D+01 -0.111990D+02  0.607647D+01
      2  -0.546670D+01  0.860172D+01  0.155319D+01  0.580862D+01  0.316329D+01
      3  -0.422614D+01 -0.599604D+01 -0.655454D+01  0.539034D+01 -0.923976D+01
      4  -0.762965D+01 -0.755444D+01  0.957182D+00  0.885562D+01  0.309265D+01
      5  -0.968849D-01 -0.231201D+01  0.635228D+01  0.142716D+01  0.857492D+01
      6  -0.512375D+00 -0.184606D+01 -0.875279D+01  0.464263D+00 -0.917417D+01
                36            37            38            39            40 
      1   0.106256D+02  0.641339D+00 -0.774127D+01  0.127907D+02 -0.544541D+01
      2  -0.230142D+00  0.197167D+01  0.468419D+01 -0.915641D+01  0.407537D+01
      3  -0.103954D+02 -0.261301D+01  0.305708D+01 -0.363432D+01  0.137004D+01
      4   0.938125D+01 -0.592027D+01 -0.537535D+01  0.586576D+01 -0.709752D+01
      5   0.117989D+02  0.163551D+02  0.537747D+01 -0.139307D+02  0.264805D+01
      6  -0.190005D+02  0.865290D+01  0.240579D-01 -0.570114D+01  0.272903D+01
                41            42            43            44            45 
      1  -0.453789D+01 -0.740608D+00  0.107394D+02  0.195338D+01 -0.965071D+01
      2   0.616441D+01 -0.847086D+00 -0.834439D+01 -0.498892D+01  0.319380D+01
      3  -0.162651D+01  0.158769D+01 -0.239500D+01  0.303554D+01  0.645691D+01
      4   0.588222D+01  0.147326D+01  0.464923D+01 -0.231364D+01 -0.151263D+02
      5   0.386728D+01 -0.986159D+01 -0.149099D+02 -0.124373D+02  0.426796D+01
      6  -0.153641D+00 -0.632433D+01 -0.832451D+01 -0.541410D+01  0.191326D+01
                46            47            48            49            50 
      1   0.957402D+00 -0.470515D+01  0.249092D+01 -0.197796D+01  0.132196D+02
      2  -0.122021D+01  0.628291D+01  0.344686D+01  0.358970D+01 -0.244596D+02
      3   0.262809D+00 -0.157776D+01 -0.593778D+01 -0.161174D+01  0.112400D+02
      4  -0.625826D+01  0.153501D+01 -0.873189D+00  0.280793D+01  0.803809D+01
      5  -0.366814D+01 -0.965053D+00  0.312705D+01 -0.878406D+00 -0.237101D+01
      6  -0.558339D+01 -0.390829D+01  0.256207D+01 -0.245427D+01  0.913034D+01
                51            52            53            54            55 
      1   0.552716D+01 -0.292256D+01  0.465623D+01  0.154291D+02  0.598796D+02
      2   0.672974D+01  0.194806D+01  0.175472D+01  0.123543D+02 -0.275542D+02
      3  -0.122569D+02  0.974503D+00 -0.641095D+01 -0.277834D+02 -0.323254D+02
      4  -0.444710D+00 -0.535372D+00 -0.455562D+00 -0.514657D+00 -0.349422D+02
      5   0.431063D+00  0.373639D+01 -0.463052D+00 -0.692900D+01 -0.134939D+02
      6   0.448573D+01  0.280524D+00  0.485178D+01  0.269974D+01  0.547553D+01
                56            57            58            59            60 
      1  -0.164737D+02 -0.831496D+01 -0.194006D+02  0.847176D+01  0.217441D+01
      2   0.401450D+01  0.692148D+01  0.578339D+01  0.520230D+01 -0.273790D+00
      3   0.124592D+02  0.139349D+01  0.136172D+02 -0.136741D+02 -0.190062D+01
      4   0.268217D+02  0.755807D+01  0.304532D+02 -0.249599D+02 -0.819906D+01
      5   0.556866D+01  0.166966D+02  0.763678D+01 -0.687098D+01 -0.100449D+02
      6  -0.366929D+01 -0.638431D+01 -0.424662D+01  0.784522D+01  0.110851D+02
                61            62            63            64            65 
      1  -0.128609D+02  0.367040D+01  0.526283D+01  0.201341D+02  0.536483D+01
      2   0.956457D+01 -0.434579D+00 -0.838468D+01 -0.841568D+01  0.475348D+00
      3   0.329633D+01 -0.323582D+01  0.312185D+01 -0.117184D+02 -0.584017D+01
      4   0.124631D+02 -0.989938D+01 -0.127630D+02  0.223581D+02  0.150411D+02
      5   0.200289D+02 -0.112643D+02 -0.186937D+02 -0.131597D+02 -0.545466D+01
      6  -0.821346D+01  0.120140D+02  0.762567D+01 -0.736170D+01 -0.404749D+01
                66            67            68            69            70 
      1  -0.671073D+01  0.151508D+01  0.237911D+00  0.522506D+00 -0.827668D+01
      2   0.399724D+01  0.351831D+01  0.431156D+01 -0.256035D+01  0.506621D+01
      3   0.271349D+01 -0.503339D+01 -0.454947D+01  0.203784D+01  0.321048D+01
      4  -0.917443D+01  0.122156D+02  0.106722D+02 -0.520890D+01 -0.130143D+02
      5   0.107313D+02 -0.308720D+01 -0.446857D+01  0.371408D+01  0.124022D+02
      6   0.627336D+01 -0.365237D+01 -0.502381D+01  0.598804D+01  0.767586D+01
                71            72            73            74            75 
      1  -0.974195D+00  0.165094D+01  0.111352D+01  0.303068D+01  0.188676D+01
      2  -0.172451D+01 -0.349151D+01  0.167245D+00 -0.899574D+00 -0.172052D+01
      3   0.269870D+01  0.184057D+01 -0.128077D+01 -0.213110D+01 -0.166241D+00
      4  -0.887108D+01  0.105900D+02  0.703795D+01  0.739790D+01  0.504812D+01
      5   0.722710D+01 -0.115433D+02  0.503938D+01  0.267618D+01  0.712351D+01
      6   0.756440D+01 -0.784999D+01  0.404588D+01  0.273808D+01  0.365686D+01
                76            77            78            79            80 
      1   0.158217D+01 -0.607812D+01 -0.431431D+01  0.284954D+01 -0.684281D+01
      2   0.515062D+00  0.782384D+01  0.467136D+01 -0.237670D+01  0.643312D+01
      3  -0.209724D+01 -0.174572D+01 -0.357046D+00 -0.472841D+00  0.409689D+00
      4   0.671722D+01  0.899118D+01  0.715267D+01  0.805412D+01  0.130312D+02
      5   0.197419D+01  0.580884D+01  0.575042D+01  0.942568D+01  0.969840D+01
      6   0.332585D+01  0.967334D+01  0.109411D+02  0.715364D+01  0.147776D+02
                81            82            83            84            85 
      1  -0.691500D+01  0.154272D+01  0.485157D+00 -0.310802D+00  0.121150D+00
      2  -0.156226D+01 -0.469941D+01 -0.108404D+01 -0.109224D+01 -0.147540D+01
      3   0.847726D+01  0.315669D+01  0.598880D+00  0.140305D+01  0.135425D+01
      4   0.135378D+02 -0.763696D+00  0.179910D+01 -0.182001D+01 -0.352919D+00
      5   0.176203D+02  0.226338D+01  0.449392D+00  0.702144D+01  0.702870D+00
      6   0.211329D+02 -0.155819D+01  0.111343D+01 -0.273301D+01  0.666270D+00
                86            87            88            89            90 
      1  -0.292458D+01 -0.180577D-02 -0.127623D+01  0.312857D+01 -0.158829D+02
      2   0.247263D+01 -0.476466D+01 -0.239869D+01 -0.454739D+01 -0.137908D+02
      3   0.451945D+00  0.476646D+01  0.367492D+01  0.141882D+01  0.296737D+02
      4  -0.544445D+00  0.112934D+01 -0.365565D+01  0.179196D+01 -0.180436D+01
      5   0.109520D+01  0.919315D+00  0.538715D+01 -0.150139D-01  0.735536D+01
      6  -0.197208D+01  0.388205D+00 -0.298858D+01  0.577489D+01 -0.218238D+02
                91            92            93            94            95 
      1  -0.188731D+01  0.120816D+01 -0.329452D+00  0.239778D+01 -0.406408D+02
      2   0.635210D+01 -0.355604D+01  0.840248D-01 -0.482777D+01  0.725253D+02
      3  -0.446480D+01  0.234789D+01  0.245427D+00  0.242999D+01 -0.318845D+02
      4  -0.192960D+01  0.104038D+02 -0.418581D+00  0.928078D+01 -0.107556D+02
      5   0.652414D-01 -0.155279D+01  0.171389D+01 -0.136853D+01  0.208151D+01
      6  -0.700376D-01  0.459049D+00 -0.855524D+00  0.100647D+01 -0.128144D+02
                96            97            98            99           100 
      1   0.432743D+01 -0.258596D+00  0.426808D+00 -0.505149D+01  0.435381D+02
      2  -0.560301D+01 -0.348731D+00  0.898469D+00  0.488299D+01 -0.179814D+02
      3   0.127558D+01  0.607327D+00 -0.132528D+01  0.168491D+00 -0.255567D+02
      4   0.931724D+00  0.739917D+00 -0.140685D+00 -0.128140D+01 -0.302853D+02
      5  -0.809844D+00  0.104096D+01 -0.714312D+00  0.608451D+00  0.325309D+01
      6   0.878460D+01 -0.135441D+01  0.899482D+01 -0.265090D+01 -0.769848D+00
               101           102           103           104           105 
      1  -0.994689D+01  0.523185D+01 -0.617571D+01  0.489210D+01 -0.755682D+00
      2   0.502406D+00 -0.210406D+01 -0.146922D+01  0.161807D+01 -0.993222D+00
      3   0.944448D+01 -0.312779D+01  0.764493D+01 -0.651017D+01  0.174890D+01
      4   0.169782D+02 -0.338594D+01  0.152685D+02 -0.971277D+01  0.203068D+01
      5  -0.445521D+00  0.697574D+01 -0.420151D+00  0.152081D+01 -0.223345D+01
      6  -0.188867D+00 -0.284425D+01  0.116000D+00 -0.842937D+00  0.324531D+01
               106           107           108           109           110 
      1   0.907480D+01 -0.234421D+01  0.318700D+01  0.122378D+01 -0.371912D+01
      2  -0.383106D+01 -0.132486D+01 -0.232711D+01 -0.124549D+01  0.229325D+01
      3  -0.524374D+01  0.366907D+01 -0.859886D+00  0.217037D-01  0.142587D+01
      4  -0.800991D+01  0.458005D+01 -0.511953D+01 -0.302591D+01  0.271136D+01
      5   0.787843D+01 -0.355339D+01  0.316759D+01 -0.135790D+01  0.150087D+01
      6  -0.324276D+01  0.345326D+01 -0.625897D+00  0.248858D+01  0.629047D+00
               111           112           113           114           115 
      1  -0.237333D+01 -0.197674D+01 -0.680086D+01 -0.607640D+01 -0.172541D+01
      2   0.100548D+01  0.108919D+01  0.507942D+01  0.317852D+01  0.206426D+01
      3   0.136785D+01  0.887556D+00  0.172145D+01  0.289788D+01 -0.338850D+00
      4   0.204278D+01  0.435727D+01 -0.415842D+01 -0.559676D+01  0.424393D+01
      5   0.389059D+01  0.222526D+01 -0.451791D+01 -0.536000D+01  0.697970D+01
      6   0.199369D+01 -0.146171D+01  0.100796D+02  0.133645D+02 -0.321157D+01
               116           117           118           119           120 
      1  -0.779368D+01 -0.150704D+02 -0.217070D+02  0.802087D+01 -0.217701D+02
      2   0.250269D+01 -0.792426D+01  0.222801D+02 -0.417728D+01  0.639579D+01
      3   0.529099D+01  0.229946D+02 -0.573080D+00 -0.384359D+01  0.153743D+02
      4  -0.818679D+01 -0.976370D+01  0.117892D+01  0.515659D+01 -0.471393D+01
      5  -0.810720D+01 -0.192593D+02 -0.197466D+02  0.434273D+01 -0.352351D+01
      6   0.142246D+02  0.250985D+02 -0.245018D+01  0.308905D+00  0.528630D+01
               121           122           123           124           125 
      1   0.126668D+02  0.134099D+02  0.779628D+00 -0.196613D+02 -0.218611D+01
      2  -0.960802D+01 -0.312879D+02 -0.567273D+01  0.692509D+01 -0.996170D+00
      3  -0.305880D+01  0.178780D+02  0.489311D+01  0.127362D+02  0.318228D+01
      4   0.372979D+01 -0.212122D+02  0.155566D+01 -0.412184D+01  0.456422D+01
      5   0.710624D+01  0.125453D+01  0.681669D+01 -0.142610D+01  0.841405D+01
      6   0.137379D+00 -0.764239D+01  0.683004D+01  0.665709D+01  0.709898D+01
               126           127           128           129           130 
      1   0.301686D+01  0.194536D+02  0.534452D+01 -0.968083D+01  0.447068D+01
      2   0.402629D+01 -0.137568D+02 -0.304129D+01  0.925115D+01 -0.139413D+01
      3  -0.704315D+01 -0.569681D+01 -0.230323D+01  0.429685D+00 -0.307655D+01
      4   0.132560D+02  0.138584D+02  0.995395D+01 -0.739147D+01  0.109804D+02
      5   0.550797D+01 -0.205844D+02 -0.610918D+01  0.179112D+02 -0.606674D+01
      6   0.466572D+01 -0.737595D+01 -0.406814D+01  0.689710D+01 -0.495965D+01
               131           132           133           134           135 
      1   0.199165D+01 -0.786298D+00 -0.839420D+01 -0.947430D+00  0.396313D+01
      2   0.197208D+00  0.487331D+00  0.981452D+01  0.224526D+01 -0.114450D+02
      3  -0.218885D+01  0.298966D+00 -0.142032D+01 -0.129783D+01  0.748190D+01
      4   0.770772D+01 -0.639434D+01 -0.824569D+01 -0.603039D+01  0.908270D+01
      5  -0.717914D+01  0.713862D+01  0.190152D+02  0.796263D+01 -0.210258D+02
      6  -0.579751D+01  0.799861D+01  0.711082D+01  0.703708D+01 -0.100520D+02
               136           137           138           139           140 
      1  -0.230416D+00  0.169637D+01 -0.814869D+00  0.108559D+01 -0.249192D+02
      2   0.389972D+01 -0.379516D+01  0.372896D+00 -0.243949D+01  0.404888D+02
      3  -0.366930D+01  0.209879D+01  0.441973D+00  0.135391D+01 -0.155695D+02
      4  -0.215834D+01  0.881056D+01 -0.114914D+01  0.700612D+01 -0.699139D+01
      5   0.805340D+00 -0.298086D+01  0.205131D+01 -0.248409D+01  0.288325D+01
      6  -0.172600D+01  0.213266D+01 -0.104638D+01  0.252339D+01 -0.178696D+02
               141           142           143           144           145 
      1   0.517993D+01 -0.500155D+00  0.472016D+00 -0.472903D+01 -0.413252D+00
      2  -0.440077D+01 -0.364391D+00  0.179725D+01  0.214736D+01 -0.428677D+01
      3  -0.779159D+00  0.864546D+00 -0.226926D+01  0.258168D+01  0.470002D+01
      4   0.164447D+01  0.192669D+00 -0.820116D+00 -0.641183D+00  0.981799D+00
      5  -0.135802D+01  0.720052D+00 -0.447690D+00  0.785303D+00  0.266027D+01
      6   0.933127D+01 -0.737233D+00  0.652472D+01 -0.263494D+01 -0.371110D+00
               146           147           148           149           150 
      1   0.826547D+00 -0.177158D+01  0.134489D+01 -0.382959D+01 -0.428456D+01
      2  -0.408850D+00 -0.256436D+01 -0.806538D+00 -0.535895D-01 -0.559023D+01
      3  -0.417697D+00  0.433594D+01 -0.538350D+00  0.388318D+01  0.987479D+01
      4   0.113490D+01 -0.168204D+01 -0.369895D+00 -0.372329D-01  0.755940D+00
      5   0.474661D+00  0.815195D+01  0.162315D+01  0.919823D+00  0.199994D+01
      6   0.117783D+01 -0.176406D+01  0.766312D+00  0.277818D+00  0.364257D+01
               151           152           153           154           155 
      1   0.338600D+00  0.519212D+00 -0.259704D+02 -0.334380D+01 -0.367592D+00
      2  -0.236801D+01 -0.297676D+01 -0.208789D+02 -0.345126D+01 -0.144853D+01
      3   0.202941D+01  0.245755D+01  0.468493D+02  0.679506D+01  0.181612D+01
      4  -0.240474D+01  0.823258D+00 -0.123766D+01 -0.596444D+01 -0.225637D+01
      5   0.626752D+01  0.211180D+00  0.833796D+01 -0.258374D+01 -0.160151D+01
      6  -0.965335D+00  0.572243D+01 -0.116655D+02  0.155195D+01 -0.313503D+01
               156           157           158           159           160 
      1   0.105387D+02 -0.252643D+01 -0.393520D+01  0.922713D+00  0.950161D+01
      2   0.206209D+01  0.964849D+00  0.319342D+01  0.295797D+01  0.771882D+00
      3  -0.126008D+02  0.156158D+01  0.741784D+00 -0.388068D+01 -0.102735D+02
      4   0.317947D+01 -0.109612D+01  0.800851D+00  0.893822D+00  0.495761D+01
      5   0.316562D+00 -0.186195D+01 -0.306197D+00 -0.206575D+01  0.415633D+01
      6  -0.574072D+01 -0.132455D+01  0.794599D+00  0.113965D+01 -0.208637D+01
               161           162           163           164           165 
      1   0.364447D+00 -0.144351D+02  0.458679D+02 -0.417248D+01  0.130976D+02
      2   0.252452D+01 -0.854531D+01 -0.302695D+02  0.478690D+01 -0.122357D+02
      3  -0.288897D+01  0.229804D+02 -0.155984D+02 -0.614421D+00 -0.861898D+00
      4   0.234673D+01 -0.451764D+01  0.111170D+02  0.785382D+01  0.489178D+01
      5   0.135462D+00  0.379923D+01  0.276477D+02 -0.963180D+00  0.178262D+02
      6   0.367890D+01  0.767035D+01  0.283889D+01  0.398740D+01  0.312844D+01
               166           167           168           169           170 
      1  -0.102531D+02  0.359634D+01 -0.262949D+01  0.101362D+02 -0.191602D+00
      2   0.794625D+01 -0.335922D+00  0.387847D+01 -0.983153D+01  0.132617D+01
      3   0.230680D+01 -0.326042D+01 -0.124898D+01 -0.304640D+00 -0.113457D+01
      4   0.424553D+01 -0.347350D+00  0.141190D+01  0.354722D+01  0.146717D+01
      5  -0.616015D+01  0.301256D+01 -0.504631D+01  0.151202D+02 -0.162256D+01
      6   0.216895D+01 -0.497533D+00  0.527209D+00  0.198182D+01  0.158590D+01
               171           172           173           174           175 
      1   0.601384D+01  0.205342D+01  0.322879D+01  0.252933D+01  0.198423D+01
      2  -0.951713D+01  0.121765D+01 -0.114377D+01 -0.101355D+01  0.339862D+01
      3   0.350329D+01 -0.327108D+01 -0.208503D+01 -0.151578D+01 -0.538285D+01
      4   0.102213D+01  0.404654D+01  0.709747D+01  0.712549D+00  0.120244D+02
      5   0.111362D+02  0.242649D+01  0.820131D+00  0.152800D+01  0.307465D+01
      6   0.185221D+01  0.113428D+01  0.446289D-02 -0.495392D+00  0.262235D+01
               176           177           178           179           180 
      1  -0.222338D+02 -0.313571D+01  0.622751D+00 -0.592134D+00 -0.359568D+01
      2   0.478852D+02  0.233851D+01 -0.348970D+00 -0.243734D+01  0.361781D+01
      3  -0.256514D+02  0.797197D+00 -0.273780D+00  0.302948D+01 -0.221348D-01
      4   0.323881D+02  0.369319D+01 -0.505465D+00 -0.138248D+01  0.180391D+01
      5   0.281585D+01  0.474662D+01  0.148038D+01  0.255603D+01 -0.634031D+00
      6   0.161940D+02  0.927779D+01  0.119899D+00  0.679680D+01  0.680963D+00
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Jul 23 18:09:16 2021, MaxMem= 10737418240 cpu:            9616.2 elap:             601.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.25226 -10.38661 -10.31498 -10.30788 -10.30468
 Alpha  occ. eigenvalues --  -10.30288 -10.30275 -10.29226  -1.13405  -0.94150
 Alpha  occ. eigenvalues --   -0.86829  -0.82752  -0.78521  -0.71491  -0.66993
 Alpha  occ. eigenvalues --   -0.61850  -0.57264  -0.55220  -0.54835  -0.54190
 Alpha  occ. eigenvalues --   -0.51675  -0.50694  -0.49019  -0.47303  -0.45537
 Alpha  occ. eigenvalues --   -0.44763  -0.43676  -0.41167  -0.40882  -0.40590
 Alpha  occ. eigenvalues --   -0.32723
 Alpha virt. eigenvalues --    0.04821   0.08658   0.10281   0.10786   0.11277
 Alpha virt. eigenvalues --    0.13026   0.13997   0.14642   0.15886   0.16026
 Alpha virt. eigenvalues --    0.17255   0.18394   0.18805   0.19125   0.20082
 Alpha virt. eigenvalues --    0.21132   0.21486   0.22567   0.24254   0.24289
 Alpha virt. eigenvalues --    0.25119   0.26169   0.26396   0.27334   0.27360
 Alpha virt. eigenvalues --    0.27832   0.29418   0.29752   0.31296   0.32525
 Alpha virt. eigenvalues --    0.33731   0.34681   0.35247   0.35683   0.36657
 Alpha virt. eigenvalues --    0.37192   0.37626   0.38081   0.38555   0.39402
 Alpha virt. eigenvalues --    0.40130   0.40974   0.41171   0.41374   0.42482
 Alpha virt. eigenvalues --    0.43152   0.43544   0.44142   0.44378   0.44665
 Alpha virt. eigenvalues --    0.45013   0.45690   0.45832   0.46368   0.46677
 Alpha virt. eigenvalues --    0.47448   0.48270   0.49066   0.50829   0.52172
 Alpha virt. eigenvalues --    0.52578   0.53000   0.53334   0.53956   0.54038
 Alpha virt. eigenvalues --    0.54881   0.54906   0.56177   0.57061   0.57775
 Alpha virt. eigenvalues --    0.58443   0.58999   0.59593   0.60335   0.60961
 Alpha virt. eigenvalues --    0.61584   0.61827   0.62122   0.62802   0.64393
 Alpha virt. eigenvalues --    0.64830   0.66048   0.66381   0.66658   0.67480
 Alpha virt. eigenvalues --    0.67847   0.69290   0.69999   0.70321   0.70824
 Alpha virt. eigenvalues --    0.70955   0.72251   0.72761   0.73391   0.74982
 Alpha virt. eigenvalues --    0.75977   0.77074   0.78366   0.78974   0.80790
 Alpha virt. eigenvalues --    0.81559   0.83804   0.85183   0.86026   0.89357
 Alpha virt. eigenvalues --    0.89995   0.92153   0.96389   0.98707   0.98887
 Alpha virt. eigenvalues --    1.00430   1.03379   1.04075   1.05453   1.06418
 Alpha virt. eigenvalues --    1.07629   1.08968   1.10702   1.11174   1.11837
 Alpha virt. eigenvalues --    1.12069   1.12959   1.13265   1.13950   1.16424
 Alpha virt. eigenvalues --    1.17024   1.18417   1.19770   1.21210   1.21938
 Alpha virt. eigenvalues --    1.23977   1.26958   1.28390   1.31753   1.33260
 Alpha virt. eigenvalues --    1.35769   1.37859   1.40385   1.41810   1.45720
 Alpha virt. eigenvalues --    1.48092   1.48516   1.51038   1.54368   1.55090
 Alpha virt. eigenvalues --    1.57912   1.59982   1.65232   1.70868   1.72698
 Alpha virt. eigenvalues --    1.74531   1.75366   1.76547   1.80345   1.83397
 Alpha virt. eigenvalues --    1.83692   1.85463   1.87336   1.90001   1.90504
 Alpha virt. eigenvalues --    1.92536   1.94522   1.95099   1.96292   1.97396
 Alpha virt. eigenvalues --    1.99181   2.01959   2.02407   2.03267   2.06063
 Alpha virt. eigenvalues --    2.06978   2.07520   2.09842   2.11339   2.12535
 Alpha virt. eigenvalues --    2.13928   2.14731   2.17280   2.18972   2.19750
 Alpha virt. eigenvalues --    2.21477   2.23682   2.25953   2.27071   2.28257
 Alpha virt. eigenvalues --    2.31064   2.33482   2.36935   2.42245   2.43424
 Alpha virt. eigenvalues --    2.45440   2.47966   2.52663   2.54029   2.55941
 Alpha virt. eigenvalues --    2.59604   2.60201   2.63604   2.64856   2.67359
 Alpha virt. eigenvalues --    2.69239   2.71424   2.72508   2.73391   2.75821
 Alpha virt. eigenvalues --    2.77399   2.80037   2.81573   2.84577   2.89206
 Alpha virt. eigenvalues --    2.96651   2.97854   3.01360   3.05883   3.09047
 Alpha virt. eigenvalues --    3.13994   3.16757   3.20533   3.22663   3.24475
 Alpha virt. eigenvalues --    3.25722   3.26603   3.28017   3.31093   3.32207
 Alpha virt. eigenvalues --    3.36254   3.54813   3.92759
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    5.194680   0.340916  -0.006810  -0.089585  -0.039456   0.201461
     2  C    0.340916   4.799197   0.340074  -0.005288  -0.009096  -0.154838
     3  C   -0.006810   0.340074   4.487769   0.347151  -0.020787  -0.069322
     4  C   -0.089585  -0.005288   0.347151   4.519000   0.301577  -0.004886
     5  C   -0.039456  -0.009096  -0.020787   0.301577   5.357419   0.257752
     6  C    0.201461  -0.154838  -0.069322  -0.004886   0.257752   4.879199
     7  O    0.165186  -0.052335   0.008376   0.004490   0.014218  -0.033952
     8  H    0.183133   0.261463   0.015343   0.004054   0.005938   0.009809
     9  H    0.009338   0.267960   0.055025  -0.026242  -0.020677  -0.032357
    10  H   -0.023820   0.068352   0.309828   0.006485  -0.008410  -0.016889
    11  H    0.013849   0.020296   0.296672   0.068829  -0.000261   0.008420
    12  H    0.004923   0.012297  -0.000501   0.214912   0.090839   0.021152
    13  H   -0.030645  -0.042172   0.077099   0.331554   0.043125  -0.030970
    14  C   -0.025718  -0.023692   0.012314  -0.029019   0.401867  -0.001992
    15  H    0.010666   0.004654  -0.003641  -0.027205   0.341360  -0.043384
    16  H    0.199016   0.006445   0.008189   0.002758   0.085333   0.167076
    17  H   -0.021918  -0.028655  -0.023022  -0.025855   0.056387   0.325364
    18  H    0.014616  -0.000239   0.013457  -0.030796   0.133629  -0.029215
    19  H   -0.003570  -0.000801  -0.012334  -0.013959   0.112332   0.005692
    20  H   -0.007573  -0.002689   0.000878   0.002835   0.112723  -0.023597
               7          8          9         10         11         12
     1  C    0.165186   0.183133   0.009338  -0.023820   0.013849   0.004923
     2  C   -0.052335   0.261463   0.267960   0.068352   0.020296   0.012297
     3  C    0.008376   0.015343   0.055025   0.309828   0.296672  -0.000501
     4  C    0.004490   0.004054  -0.026242   0.006485   0.068829   0.214912
     5  C    0.014218   0.005938  -0.020677  -0.008410  -0.000261   0.090839
     6  C   -0.033952   0.009809  -0.032357  -0.016889   0.008420   0.021152
     7  O    8.323117  -0.059383   0.012786  -0.001726   0.000368  -0.000418
     8  H   -0.059383   0.851166  -0.091212  -0.035361   0.022999  -0.000025
     9  H    0.012786  -0.091212   0.689156   0.002134  -0.016686   0.001045
    10  H   -0.001726  -0.035361   0.002134   0.767505  -0.134141  -0.008375
    11  H    0.000368   0.022999  -0.016686  -0.134141   0.885358  -0.003454
    12  H   -0.000418  -0.000025   0.001045  -0.008375  -0.003454   0.991975
    13  H    0.001768  -0.000613  -0.008882  -0.001710   0.006559  -0.210093
    14  C   -0.003964   0.001184   0.000065  -0.004050   0.004289  -0.023467
    15  H    0.000144  -0.000513   0.005507  -0.003055  -0.001766   0.035800
    16  H   -0.067443   0.000290  -0.003709   0.000494  -0.000339  -0.000500
    17  H    0.010340  -0.003948   0.004169   0.002446  -0.000020  -0.002944
    18  H    0.009060  -0.000685  -0.002531   0.009908   0.001473  -0.007097
    19  H    0.001872   0.000090   0.000102  -0.012561   0.001484   0.008442
    20  H   -0.006413  -0.000054   0.000232   0.001280  -0.000036   0.000981
              13         14         15         16         17         18
     1  C   -0.030645  -0.025718   0.010666   0.199016  -0.021918   0.014616
     2  C   -0.042172  -0.023692   0.004654   0.006445  -0.028655  -0.000239
     3  C    0.077099   0.012314  -0.003641   0.008189  -0.023022   0.013457
     4  C    0.331554  -0.029019  -0.027205   0.002758  -0.025855  -0.030796
     5  C    0.043125   0.401867   0.341360   0.085333   0.056387   0.133629
     6  C   -0.030970  -0.001992  -0.043384   0.167076   0.325364  -0.029215
     7  O    0.001768  -0.003964   0.000144  -0.067443   0.010340   0.009060
     8  H   -0.000613   0.001184  -0.000513   0.000290  -0.003948  -0.000685
     9  H   -0.008882   0.000065   0.005507  -0.003709   0.004169  -0.002531
    10  H   -0.001710  -0.004050  -0.003055   0.000494   0.002446   0.009908
    11  H    0.006559   0.004289  -0.001766  -0.000339  -0.000020   0.001473
    12  H   -0.210093  -0.023467   0.035800  -0.000500  -0.002944  -0.007097
    13  H    0.845759   0.013498  -0.070312  -0.003025   0.017260   0.000895
    14  C    0.013498   4.143877  -0.038865  -0.025557   0.015553   0.235641
    15  H   -0.070312  -0.038865   1.229465   0.024522  -0.051841  -0.000097
    16  H   -0.003025  -0.025557   0.024522   0.916494  -0.141986  -0.017312
    17  H    0.017260   0.015553  -0.051841  -0.141986   0.791028  -0.001398
    18  H    0.000895   0.235641  -0.000097  -0.017312  -0.001398   0.657128
    19  H    0.000467   0.244263  -0.006873  -0.001419  -0.002008   0.009624
    20  H   -0.001806   0.268152  -0.006284   0.004350   0.001014   0.014894
              19         20
     1  C   -0.003570  -0.007573
     2  C   -0.000801  -0.002689
     3  C   -0.012334   0.000878
     4  C   -0.013959   0.002835
     5  C    0.112332   0.112723
     6  C    0.005692  -0.023597
     7  O    0.001872  -0.006413
     8  H    0.000090  -0.000054
     9  H    0.000102   0.000232
    10  H   -0.012561   0.001280
    11  H    0.001484  -0.000036
    12  H    0.008442   0.000981
    13  H    0.000467  -0.001806
    14  C    0.244263   0.268152
    15  H   -0.006873  -0.006284
    16  H   -0.001419   0.004350
    17  H   -0.002008   0.001014
    18  H    0.009624   0.014894
    19  H    0.738472  -0.095518
    20  H   -0.095518   0.697681
 Mulliken charges:
               1
     1  C   -0.088689
     2  C    0.198151
     3  C    0.164241
     4  C    0.449190
     5  C   -1.215812
     6  C    0.565479
     7  O   -0.326089
     8  H   -0.163675
     9  H    0.154779
    10  H    0.081665
    11  H   -0.173892
    12  H   -0.125489
    13  H    0.062244
    14  C    0.835619
    15  H   -0.398281
    16  H   -0.153676
    17  H    0.080035
    18  H   -0.010953
    19  H    0.026202
    20  H    0.038950
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.088689
     2  C    0.189254
     3  C    0.072014
     4  C    0.385946
     5  C   -1.614093
     6  C    0.491838
     7  O   -0.326089
    14  C    0.889819
 Electronic spatial extent (au):  <R**2>=            944.6287
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -2.7265    Y=              1.7328    Z=              1.2907  Tot=              3.4788
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -56.8766   YY=            -50.1408   ZZ=            -49.2180
   XY=              4.6985   XZ=              2.4600   YZ=             -1.2891
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -4.7981   YY=              1.9376   ZZ=              2.8605
   XY=              4.6985   XZ=              2.4600   YZ=             -1.2891
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -14.4772  YYY=             -0.3530  ZZZ=              1.2284  XYY=             -1.8219
  XXY=              9.8105  XXZ=              4.6867  XZZ=              2.3090  YZZ=              0.2471
  YYZ=              1.3648  XYZ=             -1.8318
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -639.3760 YYYY=           -446.2113 ZZZZ=           -200.7441 XXXY=             16.7365
 XXXZ=             10.3852 YYYX=              2.6688 YYYZ=             -1.4359 ZZZX=             -2.7982
 ZZZY=              0.6110 XXYY=           -185.7925 XXZZ=           -135.6591 YYZZ=           -111.5998
 XXYZ=             -6.6992 YYXZ=              0.5559 ZZXY=              0.1172
 N-N= 3.941108108131D+02 E-N=-1.596967173682D+03  KE= 3.448291617304D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Jul 23 18:09:17 2021, MaxMem= 10737418240 cpu:               5.3 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-1.02318643D+00 6.47982688D-01 4.83613985D-01
 Polarizability= 8.63494021D+01-1.04942373D+00 8.45156964D+01
                -1.93893247D+00 2.93358883D-01 7.33527226D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        1.1544    1.1546       -0.8158   -0.8156
 2     -1.1544   -1.1546       -0.2478   -0.2480       -1.2754   -1.2785
 3      0.8158    0.8156        6.8295    6.8282        0.2473    0.2480
 4      0.2478    0.2480        0.0000    0.0000        0.8161    0.8156
 5     -5.5540   -5.5498       -0.8161   -0.8156        1.1552    1.1546
 6     -0.2473   -0.2480       -1.1552   -1.1546        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -3.4637   -3.4637       -2.4467   -2.4467
 2      0.7441    0.7441        0.0000    0.0000       -2.4467   -2.4467
 3      0.7441    0.7441       -3.4637   -3.4637        0.0000    0.0000
 4     -3.4637   -3.4637       -0.7441   -0.7441       -3.8355   -3.8355
 5      2.4467    2.4467       20.4847   20.4847        0.7441    0.7441
 6    -16.6493  -16.6493       -2.4467   -2.4467        3.4637    3.4637
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0765    0.0000       -4.3407   -4.6182        3.5938    3.2623
 2      4.4981    4.6182        1.1654    0.9921        4.8752    5.1139
 3     -3.3693   -3.2623      -27.4763  -27.3129       -0.8245   -0.9921
 4     -1.3038   -0.9921        0.2875    0.0000       -3.2280   -3.2623
 5     22.0134   22.1990        3.2670    3.2623       -4.8596   -4.6182
 6      1.0686    0.9921        4.7388    4.6182        0.0575    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.2471    0.0000        7.4703    7.5387        8.6689    8.1229
 2     -6.7665   -7.5387       -4.5873   -4.4837       -1.6820   -1.5412
 3     -8.0565   -8.1229        3.4125    3.1912        4.5081    4.4837
 4      4.8265    4.4837        0.0867    0.0000       -7.9453   -8.1229
 5     -1.7600   -1.6500        7.7921    8.1229        7.7320    7.5387
 6     -4.4493   -4.4837       -7.6035   -7.5387       -0.0193    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      4.5235    4.3695       11.1671   11.2011      -19.0429  -19.1313
 2     11.4276   11.5274       18.0901   18.1421      -18.9628  -19.1313
 3     11.4456   11.5274       11.1492   11.2011      -26.3484  -26.2572
 4     -5.7477   -6.9410       -7.2338   -7.1579        4.4918    3.9952
 5     -6.9139   -7.1259        3.6705    3.7468        6.9994    7.1579
 6     -8.6353   -7.7420        7.1490    7.1259        6.3763    6.9410
 Full mass-weighted force constant matrix:
 Low frequencies ---  -13.1152  -11.0020   -7.4575    0.0002    0.0010    0.0011
 Low frequencies ---   86.3683  126.1967  213.8602
 Diagonal vibrational polarizability:
        7.5773632       4.4543364       9.6209149
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   20491.80
                      1                      2                      3
                      A                      A                      A
 Frequencies --     86.3617               126.1928               213.8600
 Red. masses --      4.6602                 2.6340                 1.1260
 Frc consts  --      0.0205                 0.0247                 0.0303
 IR Inten    --      3.5816                 0.6269                 0.3389
 RamAct Fr= 1--      0.7916                 0.4139                 0.1123
  Dep-P Fr= 1--      0.7077                 0.6537                 0.4507
  Dep-U Fr= 1--      0.8288                 0.7906                 0.6214
 Alpha2 Fr= 1--      0.0006                 0.0007                 0.0007
 Beta2  Fr= 1--      0.1093                 0.0545                 0.0116
 AlphaG Fr= 1--     -0.0001                -0.0001                -0.0022
 Gamma2 Fr= 1--      0.0386                -0.1220                -0.0468
 Delta2 Fr= 1--      0.0320                -0.0239                -0.0086
 Raman1 Fr= 1--       3.166                  1.655                  0.449
 ROA1   Fr= 1--       4.727                -12.482                 -4.772
 CID1   Fr= 1--       1.493                 -7.540                -10.628
 Raman2 Fr= 1--       1.312                  0.654                  0.140
 ROA2   Fr= 1--       0.670                 -2.738                 -1.055
 CID2   Fr= 1--       0.510                 -4.184                 -7.563
 Raman3 Fr= 1--       2.624                  1.309                  0.279
 ROA3   Fr= 1--       4.727                -12.482                 -4.772
 CID3   Fr= 1--       1.801                 -9.537                -17.103
 RC180  Fr= 1--       0.658                  0.581                  0.243
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05  -0.02  -0.04    -0.04  -0.03  -0.02     0.01  -0.01  -0.01
     2   6    -0.04  -0.03  -0.17    -0.04  -0.04  -0.19     0.02  -0.01  -0.02
     3   6    -0.07  -0.02  -0.02    -0.10   0.04   0.05     0.02   0.04   0.04
     4   6     0.02  -0.00   0.09    -0.02  -0.01   0.11    -0.02  -0.00  -0.03
     5   6    -0.03  -0.00  -0.00     0.01  -0.00   0.00    -0.00  -0.00  -0.02
     6   6    -0.01  -0.09  -0.16    -0.01   0.04   0.08    -0.00   0.03  -0.00
     7   8     0.27   0.04   0.26    -0.04  -0.09   0.05     0.01  -0.03   0.02
     8   1    -0.09  -0.07  -0.25    -0.15  -0.15  -0.36    -0.00  -0.02  -0.05
     9   1     0.08   0.02  -0.21     0.19   0.04  -0.27     0.09  -0.02  -0.02
    10   1    -0.19  -0.02  -0.01    -0.25   0.15   0.04     0.01   0.15   0.02
    11   1    -0.05  -0.02  -0.02    -0.05   0.04   0.17     0.03   0.04   0.14
    12   1    -0.02   0.06   0.24    -0.05   0.01   0.20    -0.00  -0.01  -0.09
    13   1     0.17  -0.05   0.10     0.05  -0.08   0.13    -0.10  -0.01  -0.02
    14   6    -0.21   0.09  -0.00     0.20   0.09  -0.09    -0.02  -0.03   0.00
    15   1     0.03  -0.02   0.05    -0.04  -0.09  -0.10     0.01  -0.01  -0.00
    16   1    -0.02  -0.08  -0.30     0.01   0.04   0.19     0.00   0.03   0.06
    17   1     0.06  -0.24  -0.12    -0.02   0.16   0.05    -0.01   0.09  -0.02
    18   1    -0.27   0.09  -0.06     0.30   0.14   0.03    -0.34   0.39  -0.15
    19   1    -0.22   0.18   0.11     0.24   0.11  -0.21    -0.25  -0.45   0.28
    20   1    -0.28   0.09  -0.06     0.20   0.08  -0.17     0.50  -0.04  -0.11
                      4                      5                      6
                      A                      A                      A
 Frequencies --    263.5604               345.1455               364.4974
 Red. masses --      1.8583                 2.6156                 2.0499
 Frc consts  --      0.0761                 0.1836                 0.1605
 IR Inten    --      0.1709                 0.5992                 0.3745
 RamAct Fr= 1--      0.4990                 0.6603                 0.5694
  Dep-P Fr= 1--      0.2723                 0.6791                 0.6671
  Dep-U Fr= 1--      0.4281                 0.8089                 0.8003
 Alpha2 Fr= 1--      0.0056                 0.0008                 0.0008
 Beta2  Fr= 1--      0.0356                 0.0890                 0.0760
 AlphaG Fr= 1--      0.0042                -0.0022                -0.0023
 Gamma2 Fr= 1--      0.0597                -0.1671                 0.1677
 Delta2 Fr= 1--     -0.0028                -0.0997                -0.0102
 Raman1 Fr= 1--       1.996                  2.641                  2.278
 ROA1   Fr= 1--       5.638                -19.229                 15.776
 CID1   Fr= 1--       2.825                 -7.281                  6.927
 Raman2 Fr= 1--       0.427                  1.068                  0.911
 ROA2   Fr= 1--       1.454                 -3.212                  4.107
 CID2   Fr= 1--       3.403                 -3.007                  4.506
 Raman3 Fr= 1--       0.854                  2.136                  1.823
 ROA3   Fr= 1--       5.638                -19.229                 15.776
 CID3   Fr= 1--       6.599                 -9.001                  8.655
 RC180  Fr= 1--      -0.144                  0.618                  0.601
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.05    -0.03  -0.10  -0.09    -0.08   0.04   0.03
     2   6    -0.04  -0.00   0.04    -0.11  -0.09   0.03     0.00   0.04  -0.02
     3   6    -0.03  -0.14  -0.13    -0.04   0.05  -0.02     0.03   0.05  -0.04
     4   6     0.03  -0.00   0.04    -0.09   0.11  -0.05     0.13   0.05   0.08
     5   6     0.02  -0.00   0.04    -0.00   0.10   0.10    -0.03   0.02  -0.03
     6   6     0.01  -0.03   0.04    -0.01  -0.09  -0.07    -0.08  -0.08  -0.06
     7   8    -0.03   0.02  -0.02     0.09  -0.01  -0.01    -0.07   0.05   0.03
     8   1     0.02   0.02   0.12    -0.02   0.03   0.19     0.04  -0.07  -0.04
     9   1    -0.21   0.05   0.05    -0.22  -0.25   0.13     0.01   0.10  -0.05
    10   1     0.00  -0.40  -0.06    -0.04   0.12  -0.04    -0.02  -0.01  -0.02
    11   1    -0.07  -0.14  -0.39     0.07   0.06   0.03     0.02   0.05  -0.09
    12   1    -0.00   0.00   0.15    -0.08  -0.03  -0.19     0.08   0.22   0.36
    13   1     0.19   0.05   0.01    -0.23   0.25  -0.10     0.42  -0.09   0.11
    14   6     0.03   0.15  -0.03     0.15   0.03   0.11     0.07  -0.13   0.01
    15   1     0.00  -0.04   0.00    -0.01   0.12   0.10    -0.08   0.08  -0.05
    16   1     0.01  -0.03  -0.01    -0.19  -0.11  -0.26    -0.08  -0.07  -0.31
    17   1     0.01  -0.08   0.05     0.21  -0.29  -0.04    -0.07  -0.31   0.00
    18   1    -0.13   0.48  -0.06     0.21   0.09   0.19     0.05  -0.11   0.00
    19   1    -0.08  -0.02   0.14     0.15  -0.11  -0.03     0.02  -0.37  -0.07
    20   1     0.31   0.13  -0.25     0.29   0.04   0.16     0.28  -0.12   0.17
                      7                      8                      9
                      A                      A                      A
 Frequencies --    429.2549               465.2393               495.8876
 Red. masses --      2.3132                 2.0027                 3.8020
 Frc consts  --      0.2511                 0.2554                 0.5508
 IR Inten    --      1.0580                 1.6239                 9.7984
 RamAct Fr= 1--      0.9651                 0.4891                 1.0189
  Dep-P Fr= 1--      0.6375                 0.6225                 0.7308
  Dep-U Fr= 1--      0.7786                 0.7673                 0.8445
 Alpha2 Fr= 1--      0.0020                 0.0011                 0.0003
 Beta2  Fr= 1--      0.1252                 0.0626                 0.1434
 AlphaG Fr= 1--     -0.0043                 0.0084                -0.0060
 Gamma2 Fr= 1--     -0.5037                 0.2932                 0.1075
 Delta2 Fr= 1--      0.0541                -0.0018                 0.0486
 Raman1 Fr= 1--       3.861                  1.956                  4.075
 ROA1   Fr= 1--     -46.620                 28.095                 11.877
 CID1   Fr= 1--     -12.076                 14.360                  2.914
 Raman2 Fr= 1--       1.503                  0.751                  1.721
 ROA2   Fr= 1--     -12.521                  7.052                  2.191
 CID2   Fr= 1--      -8.331                  9.395                  1.273
 Raman3 Fr= 1--       3.006                  1.501                  3.442
 ROA3   Fr= 1--     -46.620                 28.095                 11.877
 CID3   Fr= 1--     -15.510                 18.714                  3.451
 RC180  Fr= 1--       0.557                  0.535                  0.689
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05  -0.02  -0.11     0.03   0.07   0.02    -0.04  -0.10   0.05
     2   6     0.01  -0.02   0.07     0.14   0.05  -0.03     0.01  -0.18  -0.04
     3   6    -0.02  -0.10   0.04     0.04  -0.12   0.08     0.08  -0.06   0.03
     4   6    -0.04   0.06   0.12    -0.10  -0.01   0.01     0.01   0.04  -0.00
     5   6    -0.08   0.06  -0.05    -0.10   0.01   0.06    -0.11   0.02  -0.01
     6   6    -0.04   0.16  -0.07    -0.05   0.01  -0.09    -0.11  -0.05   0.15
     7   8     0.09  -0.06  -0.01    -0.03   0.01  -0.01     0.13   0.27  -0.12
     8   1     0.02   0.21   0.20    -0.03  -0.08  -0.30    -0.04  -0.44  -0.22
     9   1    -0.13  -0.18   0.17     0.39   0.21  -0.16     0.25  -0.05  -0.15
    10   1    -0.04  -0.32   0.10     0.07  -0.30   0.12     0.04  -0.02   0.03
    11   1     0.00  -0.09  -0.20    -0.02  -0.12  -0.13     0.19  -0.05   0.05
    12   1    -0.04   0.23   0.25    -0.01  -0.02  -0.26     0.05   0.14  -0.03
    13   1     0.14  -0.07   0.15    -0.33   0.08  -0.00     0.01   0.01   0.01
    14   6     0.02  -0.06  -0.03     0.04   0.02   0.03    -0.02  -0.02  -0.02
    15   1    -0.03  -0.02  -0.04    -0.06  -0.06   0.06    -0.18   0.07  -0.05
    16   1    -0.07   0.15   0.22    -0.04   0.02  -0.34    -0.21  -0.07   0.44
    17   1    -0.01   0.43  -0.16     0.01  -0.24  -0.01    -0.15   0.23   0.07
    18   1     0.06  -0.13  -0.01     0.13   0.08   0.14     0.01   0.01   0.02
    19   1     0.01  -0.20  -0.15     0.07  -0.04  -0.10    -0.01  -0.08  -0.09
    20   1     0.10  -0.05   0.13     0.12   0.02   0.01     0.04  -0.01  -0.00
                     10                     11                     12
                      A                      A                      A
 Frequencies --    558.5884               678.9745               750.2405
 Red. masses --      3.0234                 2.8180                 2.4778
 Frc consts  --      0.5558                 0.7654                 0.8217
 IR Inten    --      1.5593                 1.9343                 3.9991
 RamAct Fr= 1--      1.6377                 9.4825                11.5489
  Dep-P Fr= 1--      0.1343                 0.0310                 0.0560
  Dep-U Fr= 1--      0.2368                 0.0602                 0.1060
 Alpha2 Fr= 1--      0.0263                 0.1959                 0.2249
 Beta2  Fr= 1--      0.0646                 0.0951                 0.2040
 AlphaG Fr= 1--      0.0378                -0.0883                 0.0890
 Gamma2 Fr= 1--     -0.0653                 0.4791                -0.0340
 Delta2 Fr= 1--      0.2093                 0.1453                -0.7080
 Raman1 Fr= 1--       6.551                 37.930                 46.195
 ROA1   Fr= 1--       0.425                 50.641                -25.918
 CID1   Fr= 1--       0.065                  1.335                 -0.561
 Raman2 Fr= 1--       0.776                  1.141                  2.448
 ROA2   Fr= 1--      -3.242                 10.335                  4.848
 CID2   Fr= 1--      -4.181                  9.055                  1.981
 Raman3 Fr= 1--       1.551                  2.283                  4.896
 ROA3   Fr= 1--       0.425                 50.641                -25.918
 CID3   Fr= 1--       0.274                 22.183                 -5.294
 RC180  Fr= 1--      -0.526                 -0.880                 -0.788
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.14  -0.04   0.18     0.22  -0.01   0.10    -0.04  -0.06  -0.10
     2   6    -0.05  -0.03   0.02     0.05   0.09  -0.01     0.03   0.16   0.01
     3   6    -0.10   0.00   0.04    -0.06   0.05  -0.09     0.01   0.14  -0.01
     4   6    -0.10   0.14   0.05    -0.03  -0.03  -0.03    -0.01   0.10   0.05
     5   6     0.12   0.14  -0.14    -0.18  -0.03   0.05    -0.03  -0.08   0.06
     6   6     0.08  -0.05   0.04    -0.06  -0.02   0.07     0.01  -0.15   0.10
     7   8     0.00  -0.05  -0.07     0.09  -0.08  -0.10     0.05  -0.04   0.00
     8   1    -0.18  -0.13  -0.19     0.06   0.22   0.07     0.02   0.11  -0.04
     9   1     0.11   0.22  -0.12    -0.17   0.21  -0.02     0.19   0.07   0.02
    10   1    -0.16  -0.21   0.10    -0.05   0.38  -0.17     0.06  -0.37   0.12
    11   1     0.04   0.02  -0.21    -0.07   0.04   0.27    -0.14   0.15  -0.54
    12   1    -0.12   0.05   0.02    -0.08   0.16   0.24     0.02  -0.03  -0.14
    13   1    -0.17   0.08   0.08     0.27  -0.07  -0.04    -0.24   0.16   0.05
    14   6    -0.03  -0.05  -0.07    -0.03  -0.01   0.01    -0.03  -0.05  -0.07
    15   1     0.13   0.04  -0.17    -0.18   0.02   0.08    -0.12  -0.02  -0.00
    16   1    -0.08  -0.06  -0.16    -0.11  -0.03  -0.03     0.05  -0.16   0.32
    17   1    -0.10  -0.27   0.14    -0.16  -0.18   0.13     0.10   0.09   0.01
    18   1    -0.19  -0.28  -0.29     0.14   0.16   0.22    -0.00   0.03  -0.02
    19   1    -0.10  -0.13   0.08     0.03  -0.05  -0.21    -0.01  -0.02  -0.09
    20   1    -0.06  -0.02   0.23     0.07  -0.02  -0.12    -0.03  -0.06  -0.20
                     13                     14                     15
                      A                      A                      A
 Frequencies --    789.9725               828.1998               880.9450
 Red. masses --      2.3025                 1.7943                 2.3549
 Frc consts  --      0.8466                 0.7251                 1.0768
 IR Inten    --      2.8254                 1.1431                 1.8895
 RamAct Fr= 1--      2.6930                 0.6755                 3.2560
  Dep-P Fr= 1--      0.0774                 0.5898                 0.4006
  Dep-U Fr= 1--      0.1436                 0.7420                 0.5720
 Alpha2 Fr= 1--      0.0498                 0.0020                 0.0241
 Beta2  Fr= 1--      0.0645                 0.0835                 0.3104
 AlphaG Fr= 1--      0.0879                -0.0087                -0.0483
 Gamma2 Fr= 1--      0.4580                 0.2152                -1.4118
 Delta2 Fr= 1--      0.2365                 0.2268                -0.9016
 Raman1 Fr= 1--      10.772                  2.702                 13.024
 ROA1   Fr= 1--      51.534                 27.916               -164.390
 CID1   Fr= 1--       4.784                 10.332                -12.622
 Raman2 Fr= 1--       0.773                  1.002                  3.725
 ROA2   Fr= 1--       9.099                  3.351                -26.671
 CID2   Fr= 1--      11.764                  3.343                 -7.160
 Raman3 Fr= 1--       1.547                  2.005                  7.450
 ROA3   Fr= 1--      51.534                 27.916               -164.390
 CID3   Fr= 1--      33.312                 13.926                -22.066
 RC180  Fr= 1--      -0.713                  0.484                  0.144
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.09  -0.00     0.02   0.03  -0.07    -0.01  -0.01   0.02
     2   6     0.02  -0.11  -0.07     0.01   0.05  -0.11     0.18  -0.04  -0.03
     3   6     0.06  -0.01  -0.03     0.01  -0.06   0.06    -0.01   0.10  -0.12
     4   6    -0.07   0.11   0.07     0.08  -0.05   0.03    -0.15  -0.04   0.10
     5   6    -0.06  -0.06   0.08     0.02   0.06  -0.02     0.07  -0.05  -0.03
     6   6     0.13   0.05   0.07    -0.09  -0.01   0.14    -0.10   0.02  -0.02
     7   8    -0.04   0.03   0.03     0.03  -0.00  -0.01     0.00   0.03  -0.01
     8   1     0.18   0.04   0.19     0.09   0.39   0.16     0.47  -0.12   0.24
     9   1    -0.26  -0.29   0.07    -0.28  -0.21   0.07    -0.09  -0.13   0.07
    10   1    -0.09   0.10  -0.04    -0.16  -0.05   0.08    -0.11   0.04  -0.09
    11   1     0.32   0.00   0.06    -0.08  -0.07   0.10     0.06   0.11  -0.17
    12   1    -0.02   0.19  -0.02     0.17  -0.11  -0.27    -0.22  -0.20   0.18
    13   1    -0.09   0.18   0.04    -0.22   0.01   0.03    -0.14  -0.09   0.12
    14   6    -0.05  -0.08  -0.12     0.01   0.02  -0.02     0.06   0.02   0.06
    15   1    -0.01  -0.16   0.07    -0.18   0.10  -0.19     0.08  -0.28  -0.12
    16   1     0.30   0.08  -0.28    -0.16  -0.01  -0.15    -0.17   0.01  -0.01
    17   1     0.19  -0.26   0.15    -0.10  -0.30   0.22    -0.21  -0.00  -0.00
    18   1     0.00   0.02  -0.04    -0.11  -0.15  -0.19    -0.10  -0.07  -0.12
    19   1    -0.02  -0.04  -0.18    -0.05  -0.05   0.11    -0.00   0.12   0.31
    20   1    -0.05  -0.09  -0.26    -0.02   0.04   0.20    -0.09   0.03   0.12
                     16                     17                     18
                      A                      A                      A
 Frequencies --    902.6595               958.3398               977.1135
 Red. masses --      1.5218                 1.7974                 2.2628
 Frc consts  --      0.7306                 0.9726                 1.2729
 IR Inten    --      1.8227                 0.6385                 1.5698
 RamAct Fr= 1--      0.6417                 3.7704                 4.0364
  Dep-P Fr= 1--      0.3883                 0.3376                 0.5865
  Dep-U Fr= 1--      0.5594                 0.5048                 0.7394
 Alpha2 Fr= 1--      0.0050                 0.0344                 0.0123
 Beta2  Fr= 1--      0.0598                 0.3172                 0.4974
 AlphaG Fr= 1--      0.0068                -0.0713                -0.0785
 Gamma2 Fr= 1--      0.1337                 1.7913                 1.2097
 Delta2 Fr= 1--      0.5145                 1.2403                -0.3692
 Raman1 Fr= 1--       2.567                 15.081                 16.146
 ROA1   Fr= 1--      29.299                211.658                104.314
 CID1   Fr= 1--      11.414                 14.034                  6.461
 Raman2 Fr= 1--       0.718                  3.807                  5.969
 ROA2   Fr= 1--      -0.907                 33.069                 31.986
 CID2   Fr= 1--      -1.263                  8.687                  5.359
 Raman3 Fr= 1--       1.436                  7.613                 11.938
 ROA3   Fr= 1--      29.299                211.658                104.314
 CID3   Fr= 1--      20.406                 27.801                  8.738
 RC180  Fr= 1--       0.119                  0.010                  0.479
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.00  -0.09    -0.06  -0.01  -0.03    -0.02  -0.06   0.01
     2   6     0.03   0.00   0.05     0.10   0.04   0.02     0.04  -0.00   0.07
     3   6    -0.02  -0.00   0.02    -0.03  -0.06  -0.05    -0.07   0.01  -0.05
     4   6    -0.09  -0.02  -0.09    -0.05  -0.04   0.02     0.08  -0.05   0.05
     5   6     0.00   0.03  -0.01    -0.05   0.09   0.00     0.07   0.08   0.15
     6   6     0.02   0.04   0.11     0.11  -0.10   0.02    -0.07   0.11  -0.01
     7   8     0.02  -0.00   0.01    -0.02   0.02   0.03     0.02   0.00  -0.01
     8   1    -0.11  -0.00  -0.11     0.17  -0.07   0.05     0.08  -0.24  -0.01
     9   1     0.33  -0.15   0.05     0.03   0.10   0.01     0.11   0.16  -0.02
    10   1     0.29  -0.05  -0.02    -0.01   0.21  -0.12    -0.07   0.11  -0.08
    11   1    -0.10  -0.01  -0.05    -0.15  -0.08   0.27    -0.24  -0.01   0.12
    12   1    -0.18   0.18   0.35    -0.08  -0.07   0.07     0.03  -0.34  -0.07
    13   1     0.36  -0.20  -0.06     0.05   0.11  -0.05    -0.05   0.27  -0.06
    14   6     0.03  -0.01  -0.00    -0.03   0.08  -0.05    -0.03  -0.09  -0.15
    15   1    -0.09   0.04  -0.09    -0.10  -0.01  -0.10     0.12   0.09   0.21
    16   1    -0.09   0.03  -0.24     0.19  -0.10   0.20    -0.42   0.08  -0.16
    17   1     0.24  -0.28   0.18     0.25   0.14  -0.07     0.30  -0.08   0.00
    18   1    -0.10  -0.01  -0.12     0.02  -0.24  -0.11    -0.05  -0.03  -0.15
    19   1    -0.00   0.11   0.19    -0.09  -0.31  -0.24    -0.02  -0.03  -0.13
    20   1    -0.10  -0.01  -0.06     0.14   0.12   0.48    -0.05  -0.09  -0.25
                     19                     20                     21
                      A                      A                      A
 Frequencies --    982.4575              1039.0991              1066.6877
 Red. masses --      1.5626                 1.9243                 1.4816
 Frc consts  --      0.8887                 1.2242                 0.9932
 IR Inten    --      1.2206                 0.8051                 4.2558
 RamAct Fr= 1--      3.3379                 2.1227                 3.7388
  Dep-P Fr= 1--      0.6999                 0.6775                 0.6399
  Dep-U Fr= 1--      0.8234                 0.8078                 0.7804
 Alpha2 Fr= 1--      0.0029                 0.0027                 0.0074
 Beta2  Fr= 1--      0.4581                 0.2858                 0.4863
 AlphaG Fr= 1--     -0.0130                 0.0103                -0.0262
 Gamma2 Fr= 1--     -1.2837                -1.5264                 0.4042
 Delta2 Fr= 1--     -0.5377                -0.7537                 0.0452
 Raman1 Fr= 1--      13.352                  8.491                 14.955
 ROA1   Fr= 1--    -140.447               -170.650                 40.251
 CID1   Fr= 1--     -10.519                -20.098                  2.691
 Raman2 Fr= 1--       5.497                  3.429                  5.835
 ROA2   Fr= 1--     -26.508                -30.604                  9.340
 CID2   Fr= 1--      -4.822                 -8.924                  1.600
 Raman3 Fr= 1--      10.994                  6.859                 11.671
 ROA3   Fr= 1--    -140.447               -170.650                 40.251
 CID3   Fr= 1--     -12.775                -24.881                  3.449
 RC180  Fr= 1--       0.647                  0.616                  0.561
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01   0.02    -0.03  -0.01   0.01    -0.01   0.02  -0.03
     2   6     0.02  -0.07  -0.01     0.15   0.00  -0.03    -0.00   0.03  -0.04
     3   6    -0.05   0.11   0.02    -0.13  -0.08   0.06     0.06  -0.04   0.01
     4   6     0.04  -0.09  -0.02     0.00   0.08  -0.07    -0.08  -0.00   0.01
     5   6    -0.03   0.04  -0.04     0.05   0.04  -0.05     0.13   0.04   0.01
     6   6     0.06   0.04   0.02     0.02  -0.07  -0.01    -0.04  -0.04   0.02
     7   8    -0.00   0.01  -0.00    -0.03   0.03   0.02    -0.01   0.01   0.01
     8   1     0.15  -0.14   0.09     0.27   0.07   0.14    -0.12   0.29  -0.05
     9   1     0.10  -0.32   0.08    -0.10  -0.07   0.05     0.02  -0.12   0.02
    10   1    -0.05  -0.26   0.11    -0.37  -0.01   0.08     0.25   0.06  -0.05
    11   1    -0.20   0.11  -0.34    -0.26  -0.09   0.15     0.22  -0.03   0.04
    12   1     0.00  -0.21  -0.00     0.03   0.26  -0.01    -0.20  -0.19   0.21
    13   1    -0.09  -0.26   0.06     0.07  -0.07  -0.02     0.09   0.04  -0.02
    14   6    -0.07   0.03   0.02     0.00  -0.07   0.04    -0.08  -0.01  -0.02
    15   1     0.01   0.25   0.10     0.08   0.32   0.11     0.35   0.06   0.24
    16   1     0.14   0.06  -0.13    -0.03  -0.08   0.16    -0.20  -0.07   0.11
    17   1    -0.07  -0.10   0.08     0.02   0.10  -0.07    -0.33  -0.01   0.05
    18   1     0.16   0.08   0.25     0.03   0.23   0.16     0.14   0.07   0.20
    19   1     0.00  -0.15  -0.35     0.08   0.20   0.05     0.01  -0.12  -0.36
    20   1     0.18   0.03   0.05    -0.06  -0.10  -0.41     0.15  -0.01  -0.07
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1077.9072              1127.5831              1148.2491
 Red. masses --      1.5424                 1.2484                 2.1498
 Frc consts  --      1.0558                 0.9352                 1.6700
 IR Inten    --      5.6606                17.5679                 0.6188
 RamAct Fr= 1--      0.6120                 2.5628                 2.2305
  Dep-P Fr= 1--      0.4874                 0.6972                 0.7032
  Dep-U Fr= 1--      0.6554                 0.8216                 0.8257
 Alpha2 Fr= 1--      0.0032                 0.0024                 0.0018
 Beta2  Fr= 1--      0.0669                 0.3509                 0.3070
 AlphaG Fr= 1--      0.0255                 0.0195                -0.0022
 Gamma2 Fr= 1--     -0.2470                 0.2709                -0.1855
 Delta2 Fr= 1--     -0.1752                 0.1954                -0.0600
 Raman1 Fr= 1--       2.448                 10.251                  8.922
 ROA1   Fr= 1--     -29.317                 32.258                -19.727
 CID1   Fr= 1--     -11.975                  3.147                 -2.211
 Raman2 Fr= 1--       0.802                  4.211                  3.684
 ROA2   Fr= 1--      -4.526                  4.937                 -3.972
 CID2   Fr= 1--      -5.641                  1.172                 -1.078
 Raman3 Fr= 1--       1.605                  8.422                  7.367
 ROA3   Fr= 1--     -29.317                 32.258                -19.727
 CID3   Fr= 1--     -18.271                  3.830                 -2.678
 RC180  Fr= 1--       0.311                  0.643                  0.651
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.07  -0.02     0.04   0.08  -0.03     0.07   0.01   0.13
     2   6     0.04  -0.06   0.04     0.02  -0.05   0.04    -0.02  -0.02  -0.13
     3   6    -0.12  -0.01   0.00    -0.03  -0.00  -0.02     0.03   0.05   0.08
     4   6     0.06   0.08  -0.02     0.01  -0.01   0.02    -0.03  -0.05  -0.07
     5   6     0.02  -0.08   0.03    -0.01   0.04   0.01    -0.03   0.05   0.14
     6   6    -0.05  -0.01  -0.01    -0.04  -0.04  -0.01    -0.01  -0.05  -0.10
     7   8     0.00  -0.00  -0.00    -0.01  -0.01   0.01    -0.05   0.02  -0.00
     8   1    -0.09   0.04  -0.06    -0.13   0.06  -0.08     0.04   0.28   0.09
     9   1     0.33  -0.36   0.11     0.03   0.08  -0.02    -0.06  -0.39   0.05
    10   1     0.08   0.03  -0.04    -0.06   0.03  -0.03     0.25  -0.18   0.11
    11   1    -0.21  -0.01   0.06     0.45   0.03  -0.03    -0.14   0.05  -0.17
    12   1     0.01  -0.08  -0.02    -0.17  -0.44   0.14    -0.09  -0.00   0.17
    13   1     0.16   0.48  -0.18    -0.08  -0.07   0.05     0.19  -0.01  -0.09
    14   6     0.01   0.03  -0.01     0.02  -0.03  -0.00     0.06   0.00  -0.08
    15   1    -0.03  -0.13  -0.04    -0.36   0.48  -0.11    -0.07   0.07   0.11
    16   1     0.27   0.03  -0.00     0.23  -0.01   0.07    -0.12  -0.07   0.24
    17   1    -0.45  -0.01   0.04     0.09   0.09  -0.06     0.23   0.21  -0.19
    18   1    -0.01  -0.10  -0.06    -0.05   0.05  -0.04    -0.13  -0.15  -0.30
    19   1    -0.03  -0.07   0.01     0.02   0.08   0.09    -0.04  -0.02   0.17
    20   1     0.02   0.03   0.14    -0.06  -0.04  -0.12    -0.11   0.01   0.07
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1199.4517              1246.9655              1249.8704
 Red. masses --      1.7195                 1.7890                 1.2696
 Frc consts  --      1.4575                 1.6390                 1.1686
 IR Inten    --      2.9749                23.0858                 7.0828
 RamAct Fr= 1--      2.4404                 2.2074                 8.4904
  Dep-P Fr= 1--      0.7371                 0.6553                 0.6205
  Dep-U Fr= 1--      0.8486                 0.7917                 0.7658
 Alpha2 Fr= 1--      0.0005                 0.0037                 0.0201
 Beta2  Fr= 1--      0.3452                 0.2913                 1.0836
 AlphaG Fr= 1--      0.0077                 0.0219                 0.0265
 Gamma2 Fr= 1--      2.9466                -0.6691                 2.1513
 Delta2 Fr= 1--      0.7179                -0.4882                -0.2646
 Raman1 Fr= 1--       9.762                  8.830                 33.962
 ROA1   Fr= 1--     305.844                -79.854                198.057
 CID1   Fr= 1--      31.331                 -9.044                  5.832
 Raman2 Fr= 1--       4.142                  3.495                 13.004
 ROA2   Fr= 1--      64.975                -12.152                 53.747
 CID2   Fr= 1--      15.686                 -3.476                  4.133
 Raman3 Fr= 1--       8.284                  6.991                 26.007
 ROA3   Fr= 1--     305.844                -79.854                198.057
 CID3   Fr= 1--      36.919                -11.422                  7.615
 RC180  Fr= 1--       0.697                  0.583                  0.532
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.02   0.03     0.08   0.18  -0.09     0.05   0.05   0.03
     2   6    -0.05   0.04  -0.03    -0.06  -0.02   0.04     0.01  -0.02   0.01
     3   6     0.06  -0.02  -0.07     0.01   0.01  -0.04    -0.04   0.00  -0.05
     4   6    -0.01  -0.03   0.12    -0.02  -0.04   0.01     0.03   0.01   0.03
     5   6    -0.06   0.11  -0.07     0.00   0.04   0.06     0.01  -0.03  -0.07
     6   6     0.06  -0.02  -0.02     0.03  -0.07   0.00    -0.00  -0.01   0.01
     7   8    -0.00  -0.00  -0.00    -0.01  -0.03   0.01    -0.04   0.02   0.02
     8   1     0.01  -0.04   0.01     0.16  -0.49   0.04    -0.16   0.22  -0.06
     9   1     0.21  -0.31   0.07     0.14  -0.07   0.02     0.23  -0.27   0.07
    10   1     0.42   0.13  -0.16    -0.11   0.01  -0.02     0.01   0.06  -0.07
    11   1    -0.43  -0.06   0.15     0.01   0.00   0.02     0.11   0.01  -0.00
    12   1     0.02  -0.12  -0.06     0.15   0.37  -0.13     0.08   0.01  -0.11
    13   1    -0.14   0.20   0.04    -0.09  -0.25   0.09    -0.05   0.04   0.02
    14   6     0.03  -0.08   0.04     0.02   0.00  -0.03    -0.04   0.00   0.04
    15   1    -0.08   0.10  -0.10     0.09   0.04   0.15    -0.06  -0.25  -0.23
    16   1     0.11  -0.01   0.01    -0.41  -0.13   0.22    -0.48  -0.07   0.11
    17   1    -0.20   0.03   0.00    -0.28   0.02   0.02     0.54   0.03  -0.07
    18   1    -0.06   0.19   0.04    -0.05  -0.06  -0.11     0.08   0.06   0.17
    19   1     0.08   0.21   0.14    -0.01  -0.02   0.03     0.01   0.00  -0.08
    20   1    -0.11  -0.09  -0.25    -0.04  -0.00  -0.02     0.07  -0.00  -0.01
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1279.4185              1309.6035              1341.5270
 Red. masses --      1.3875                 1.4698                 1.4927
 Frc consts  --      1.3382                 1.4853                 1.5828
 IR Inten    --      4.3570                 3.4092                12.5371
 RamAct Fr= 1--      3.7093                 4.3371                 3.6339
  Dep-P Fr= 1--      0.6248                 0.7324                 0.7198
  Dep-U Fr= 1--      0.7691                 0.8455                 0.8371
 Alpha2 Fr= 1--      0.0085                 0.0013                 0.0019
 Beta2  Fr= 1--      0.4755                 0.6112                 0.5070
 AlphaG Fr= 1--      0.0376                -0.0022                -0.0056
 Gamma2 Fr= 1--     -3.3467                 0.0240                -0.7491
 Delta2 Fr= 1--     -0.6433                 0.7438                -0.3213
 Raman1 Fr= 1--      14.837                 17.348                 14.536
 ROA1   Fr= 1--    -341.869                 26.108                -82.196
 CID1   Fr= 1--     -23.042                  1.505                 -5.655
 Raman2 Fr= 1--       5.705                  7.334                  6.084
 ROA2   Fr= 1--     -75.174                 -5.374                -15.408
 CID2   Fr= 1--     -13.176                 -0.733                 -2.533
 Raman3 Fr= 1--      11.411                 14.668                 12.167
 ROA3   Fr= 1--    -341.869                 26.108                -82.196
 CID3   Fr= 1--     -29.960                  1.780                 -6.756
 RC180  Fr= 1--       0.538                  0.691                  0.674
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.07   0.02     0.02  -0.01   0.04    -0.01  -0.05   0.04
     2   6     0.05  -0.00   0.04    -0.03   0.02   0.01    -0.08   0.15  -0.02
     3   6    -0.02   0.01  -0.07     0.03  -0.03  -0.07     0.04  -0.06   0.01
     4   6     0.03  -0.02   0.00    -0.04   0.04   0.02     0.00   0.04  -0.03
     5   6    -0.08   0.04   0.03     0.09  -0.04   0.03    -0.02  -0.04  -0.00
     6   6     0.06   0.00  -0.01    -0.13  -0.00   0.00     0.03   0.03  -0.02
     7   8    -0.01   0.02   0.01     0.01  -0.00  -0.02     0.01  -0.00  -0.01
     8   1    -0.32   0.45  -0.14    -0.04   0.01  -0.01     0.27  -0.28   0.14
     9   1     0.24  -0.15   0.07     0.22  -0.22   0.06     0.38  -0.40   0.13
    10   1    -0.28   0.08  -0.06    -0.01   0.12  -0.10    -0.47   0.03   0.06
    11   1     0.24   0.02  -0.03    -0.21  -0.05   0.09     0.28  -0.04   0.04
    12   1     0.10   0.08  -0.10     0.09   0.30  -0.10    -0.15  -0.28   0.11
    13   1    -0.15  -0.25   0.10    -0.19  -0.40   0.20     0.10   0.04  -0.05
    14   6     0.05   0.00  -0.03    -0.02   0.02  -0.02     0.00   0.01   0.00
    15   1     0.24  -0.04   0.30     0.02   0.25   0.10    -0.10   0.07  -0.03
    16   1    -0.03  -0.01  -0.01     0.47   0.07  -0.03    -0.10   0.02  -0.02
    17   1    -0.28  -0.02   0.04     0.30   0.02  -0.05    -0.02  -0.03   0.01
    18   1    -0.08  -0.04  -0.15     0.05  -0.08  -0.00     0.01  -0.03  -0.00
    19   1    -0.01   0.00   0.12    -0.03  -0.06  -0.05    -0.02  -0.04   0.01
    20   1    -0.10   0.01   0.03     0.08   0.03   0.06    -0.01   0.01   0.01
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1360.5266              1373.9865              1382.6947
 Red. masses --      1.5157                 1.3965                 1.4384
 Frc consts  --      1.6531                 1.5533                 1.6203
 IR Inten    --      5.5469                 0.9055                 2.5925
 RamAct Fr= 1--      3.5970                 0.7383                 1.2304
  Dep-P Fr= 1--      0.6922                 0.7146                 0.7445
  Dep-U Fr= 1--      0.8181                 0.8336                 0.8536
 Alpha2 Fr= 1--      0.0036                 0.0005                 0.0001
 Beta2  Fr= 1--      0.4905                 0.1026                 0.1750
 AlphaG Fr= 1--     -0.0040                 0.0015                 0.0026
 Gamma2 Fr= 1--     -0.8126                 0.7521                 0.6551
 Delta2 Fr= 1--     -0.1766                 0.7852                 0.0888
 Raman1 Fr= 1--      14.388                  2.953                  4.922
 ROA1   Fr= 1--     -83.659                 97.323                 65.732
 CID1   Fr= 1--      -5.815                 32.954                 13.356
 Raman2 Fr= 1--       5.885                  1.231                  2.100
 ROA2   Fr= 1--     -18.090                 11.768                 15.012
 CID2   Fr= 1--      -3.074                  9.561                  7.147
 Raman3 Fr= 1--      11.771                  2.462                  4.201
 ROA3   Fr= 1--     -83.659                 97.323                 65.732
 CID3   Fr= 1--      -7.107                 39.534                 15.647
 RC180  Fr= 1--       0.636                  0.667                  0.707
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.02   0.01    -0.00  -0.00   0.01     0.03   0.06  -0.02
     2   6     0.01   0.02  -0.03    -0.01   0.05  -0.02    -0.01  -0.01  -0.00
     3   6    -0.08  -0.04   0.01    -0.10   0.01   0.03     0.02  -0.02   0.01
     4   6     0.03   0.07   0.03    -0.01  -0.10   0.03     0.06   0.09  -0.04
     5   6    -0.03  -0.14  -0.04    -0.02   0.04  -0.05    -0.09   0.03  -0.06
     6   6     0.06   0.04  -0.01    -0.06  -0.02   0.03    -0.06  -0.03   0.04
     7   8    -0.00   0.01   0.00     0.01  -0.01  -0.01     0.00  -0.01  -0.00
     8   1     0.11  -0.08   0.02     0.17  -0.14   0.08     0.04  -0.12   0.00
     9   1    -0.10   0.01  -0.00     0.07  -0.06   0.02    -0.05   0.01  -0.00
    10   1     0.55   0.10  -0.12     0.19   0.00  -0.02     0.01  -0.01   0.02
    11   1     0.07  -0.02   0.02     0.53   0.05  -0.12    -0.17  -0.04   0.07
    12   1    -0.01  -0.07  -0.00     0.17   0.25  -0.16    -0.17  -0.46   0.14
    13   1    -0.19  -0.11   0.12     0.13   0.30  -0.14    -0.08  -0.20   0.08
    14   6     0.03   0.04  -0.02     0.01  -0.02  -0.02     0.03  -0.00   0.00
    15   1     0.00   0.50   0.30     0.30  -0.00   0.23     0.50  -0.34   0.33
    16   1    -0.34  -0.01   0.00     0.27   0.02  -0.02     0.13  -0.02   0.07
    17   1    -0.01  -0.06   0.03     0.20   0.02  -0.02     0.27  -0.03   0.01
    18   1     0.03  -0.10  -0.06     0.02   0.11   0.04    -0.06   0.04  -0.07
    19   1    -0.06  -0.09   0.12     0.01   0.12   0.11     0.01   0.01   0.05
    20   1    -0.04   0.05   0.13     0.00  -0.00   0.12    -0.10   0.00   0.02
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1396.2077              1421.4058              1466.3572
 Red. masses --      1.4178                 1.2549                 1.1000
 Frc consts  --      1.6284                 1.4938                 1.3936
 IR Inten    --      0.5821                 7.8309                 8.7816
 RamAct Fr= 1--      0.3955                 0.1157                 8.5964
  Dep-P Fr= 1--      0.2431                 0.6657                 0.7484
  Dep-U Fr= 1--      0.3911                 0.7993                 0.8561
 Alpha2 Fr= 1--      0.0048                 0.0002                 0.0002
 Beta2  Fr= 1--      0.0258                 0.0154                 1.2266
 AlphaG Fr= 1--     -0.0222                -0.0006                -0.0119
 Gamma2 Fr= 1--      0.0741                 0.0679                -0.1479
 Delta2 Fr= 1--     -0.0833                 0.0295                 0.2506
 Raman1 Fr= 1--       1.582                  0.463                 34.385
 ROA1   Fr= 1--       4.449                  7.460                 -6.182
 CID1   Fr= 1--       2.812                 16.125                 -0.180
 Raman2 Fr= 1--       0.309                  0.185                 14.719
 ROA2   Fr= 1--       2.445                  1.393                 -5.556
 CID2   Fr= 1--       7.902                  7.533                 -0.377
 Raman3 Fr= 1--       0.619                  0.370                 29.437
 ROA3   Fr= 1--       4.449                  7.460                 -6.182
 CID3   Fr= 1--       7.189                 20.175                 -0.210
 RC180  Fr= 1--      -0.218                  0.599                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.03  -0.01    -0.00  -0.00  -0.00    -0.00  -0.01   0.00
     2   6    -0.01  -0.05   0.02     0.00   0.01   0.00     0.04   0.04   0.02
     3   6     0.11   0.03  -0.01    -0.00  -0.01   0.00     0.01   0.00   0.00
     4   6    -0.06  -0.04   0.04     0.02   0.02  -0.02    -0.01  -0.01   0.01
     5   6    -0.02  -0.07  -0.08     0.01   0.01   0.04    -0.00   0.00  -0.01
     6   6    -0.01  -0.00   0.02     0.01   0.01  -0.02    -0.01   0.04  -0.05
     7   8    -0.01   0.00   0.01    -0.00   0.00   0.00    -0.00   0.00   0.00
     8   1    -0.13   0.13  -0.03    -0.01  -0.03  -0.03    -0.20  -0.23  -0.38
     9   1     0.04   0.07  -0.03    -0.04  -0.02   0.02    -0.36  -0.22   0.20
    10   1    -0.40  -0.04   0.08     0.01   0.05  -0.02    -0.04   0.02   0.00
    11   1    -0.29   0.00   0.00    -0.03  -0.01  -0.03     0.01   0.01  -0.03
    12   1    -0.04   0.02   0.03    -0.04  -0.03   0.08     0.01   0.01  -0.02
    13   1     0.16   0.41  -0.15    -0.10  -0.13   0.05     0.04   0.05  -0.02
    14   6     0.02   0.01  -0.03    -0.04  -0.06  -0.11     0.00   0.00   0.02
    15   1     0.13   0.44   0.32    -0.07  -0.11  -0.10    -0.01   0.03  -0.00
    16   1    -0.11  -0.01   0.01    -0.02  -0.00   0.08     0.09   0.02   0.50
    17   1     0.15  -0.02   0.00    -0.08  -0.07   0.02     0.06  -0.48   0.11
    18   1     0.09   0.04   0.05     0.29   0.30   0.34    -0.06  -0.04  -0.06
    19   1    -0.04   0.05   0.19    -0.07   0.36   0.39     0.04   0.03  -0.06
    20   1     0.01   0.03   0.19     0.19   0.00   0.52     0.05  -0.00  -0.04
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1474.7473              1488.6805              1498.7037
 Red. masses --      1.0886                 1.0714                 1.0598
 Frc consts  --      1.3949                 1.3989                 1.4025
 IR Inten    --      9.6688                 2.8086                 7.7256
 RamAct Fr= 1--      3.6851                 6.1977                 4.8769
  Dep-P Fr= 1--      0.7444                 0.7482                 0.7496
  Dep-U Fr= 1--      0.8535                 0.8560                 0.8569
 Alpha2 Fr= 1--      0.0003                 0.0002                 0.0000
 Beta2  Fr= 1--      0.5242                 0.8842                 0.6965
 AlphaG Fr= 1--      0.0014                -0.0029                -0.0007
 Gamma2 Fr= 1--      0.5243                -1.8739                -0.7879
 Delta2 Fr= 1--      0.2200                -0.8628                 0.1927
 Raman1 Fr= 1--      14.740                 24.791                 19.507
 ROA1   Fr= 1--      57.370               -207.505                -69.478
 CID1   Fr= 1--       3.892                 -8.370                 -3.562
 Raman2 Fr= 1--       6.290                 10.610                  8.358
 ROA2   Fr= 1--      10.822                -38.072                -20.452
 CID2   Fr= 1--       1.720                 -3.588                 -2.447
 Raman3 Fr= 1--      12.581                 21.220                 16.716
 ROA3   Fr= 1--      57.370               -207.505                -69.478
 CID3   Fr= 1--       4.560                 -9.779                 -4.156
 RC180  Fr= 1--       0.707                  0.712                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.00  -0.01     0.00   0.00  -0.00    -0.01   0.00   0.00
     2   6    -0.04  -0.04  -0.01     0.01   0.00   0.01     0.01   0.01  -0.00
     3   6    -0.01   0.00  -0.00     0.00  -0.02   0.03    -0.01   0.02  -0.03
     4   6    -0.02   0.02   0.01    -0.04   0.03   0.03    -0.01   0.01   0.01
     5   6    -0.00   0.00   0.00     0.01   0.01   0.01    -0.01   0.03  -0.01
     6   6     0.00   0.03  -0.04     0.00  -0.01   0.01     0.00  -0.00   0.00
     7   8    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     8   1     0.19   0.24   0.38    -0.05  -0.05  -0.08    -0.02  -0.02  -0.05
     9   1     0.35   0.26  -0.21    -0.09  -0.03   0.04    -0.05  -0.03   0.02
    10   1     0.04  -0.04   0.00    -0.02   0.28  -0.06     0.05  -0.30   0.07
    11   1    -0.00  -0.00   0.04    -0.06   0.00  -0.28     0.06   0.01   0.30
    12   1     0.04  -0.10  -0.21     0.08  -0.20  -0.44     0.02  -0.08  -0.15
    13   1     0.21  -0.10   0.03     0.46  -0.18   0.05     0.17  -0.05   0.01
    14   6    -0.00  -0.00   0.00     0.03  -0.00  -0.02    -0.01   0.03  -0.02
    15   1    -0.01   0.00  -0.01    -0.03  -0.01  -0.04     0.02  -0.05  -0.01
    16   1     0.07   0.01   0.44    -0.01  -0.00  -0.08     0.03  -0.00   0.00
    17   1     0.01  -0.43   0.11    -0.02   0.08  -0.02    -0.01  -0.00   0.00
    18   1    -0.04  -0.01  -0.03     0.05   0.25   0.11     0.40  -0.36   0.24
    19   1     0.03   0.06  -0.03    -0.08  -0.27   0.00    -0.23  -0.21   0.42
    20   1     0.05  -0.00   0.01    -0.38   0.01   0.09     0.02  -0.01  -0.33
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1504.3794              1513.1215              1786.0520
 Red. masses --      1.0664                 1.0739                10.8447
 Frc consts  --      1.4219                 1.4487                20.3825
 IR Inten    --      5.9725                 5.0046               212.6753
 RamAct Fr= 1--      0.8448                 2.7184                22.4884
  Dep-P Fr= 1--      0.5311                 0.6070                 0.3731
  Dep-U Fr= 1--      0.6937                 0.7555                 0.5434
 Alpha2 Fr= 1--      0.0036                 0.0072                 0.1829
 Beta2  Fr= 1--      0.0977                 0.3423                 2.0367
 AlphaG Fr= 1--     -0.0049                 0.0234                 0.0004
 Gamma2 Fr= 1--     -0.0751                 0.7750                 0.9530
 Delta2 Fr= 1--      0.1164                 0.2944                -0.1967
 Raman1 Fr= 1--       3.379                 10.874                 89.953
 ROA1   Fr= 1--      -3.482                 83.826                 85.191
 CID1   Fr= 1--      -1.030                  7.709                  0.947
 Raman2 Fr= 1--       1.172                  4.107                 24.440
 ROA2   Fr= 1--      -2.732                 16.245                 24.444
 CID2   Fr= 1--      -2.331                  3.955                  1.000
 Raman3 Fr= 1--       2.344                  8.215                 48.881
 ROA3   Fr= 1--      -3.482                 83.826                 85.191
 CID3   Fr= 1--      -1.485                 10.204                  1.743
 RC180  Fr= 1--       0.387                  0.511                  0.087
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.00   0.01  -0.00     0.55  -0.40  -0.33
     2   6     0.01   0.01   0.00    -0.00  -0.01   0.00    -0.03   0.03   0.02
     3   6    -0.00   0.01  -0.01     0.01  -0.04   0.05    -0.01   0.01   0.00
     4   6    -0.03   0.03   0.02     0.01  -0.01   0.00     0.00  -0.00   0.00
     5   6    -0.02  -0.02   0.01    -0.02   0.02  -0.00    -0.02   0.01   0.00
     6   6     0.01  -0.01   0.02     0.00  -0.00   0.00    -0.04   0.02   0.03
     7   8     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.36   0.26   0.21
     8   1    -0.04  -0.05  -0.09     0.02   0.01   0.04     0.10  -0.25  -0.02
     9   1    -0.08  -0.06   0.05     0.02   0.04  -0.02    -0.06   0.11  -0.03
    10   1     0.02  -0.13   0.03    -0.05   0.53  -0.11     0.05  -0.04   0.00
    11   1     0.01   0.01   0.14    -0.09  -0.01  -0.52     0.03   0.02   0.02
    12   1     0.05  -0.19  -0.35    -0.00  -0.01   0.03     0.00  -0.01  -0.01
    13   1     0.36  -0.15   0.05    -0.02   0.03  -0.01     0.00   0.00  -0.00
    14   6    -0.03  -0.02   0.01    -0.03   0.02   0.01     0.00   0.00  -0.00
    15   1     0.01   0.04   0.07     0.03  -0.03   0.02     0.01  -0.02   0.03
    16   1    -0.06  -0.01  -0.18     0.01  -0.00   0.00     0.23   0.03  -0.14
    17   1    -0.02   0.17  -0.04    -0.00   0.00   0.00    -0.13  -0.02   0.03
    18   1    -0.17  -0.15  -0.19     0.14  -0.41   0.00     0.02  -0.03   0.00
    19   1     0.16   0.44  -0.10    -0.04   0.11   0.19    -0.01   0.01   0.04
    20   1     0.47  -0.01   0.07     0.32  -0.01  -0.26     0.01  -0.00  -0.01
                     43                     44                     45
                      A                      A                      A
 Frequencies --   3009.0785              3010.6625              3017.1934
 Red. masses --      1.0683                 1.0687                 1.0687
 Frc consts  --      5.6989                 5.7075                 5.7319
 IR Inten    --      0.7721                19.2033                19.0713
 RamAct Fr= 1--     40.0575               100.0651                63.5060
  Dep-P Fr= 1--      0.2013                 0.3116                 0.3241
  Dep-U Fr= 1--      0.3352                 0.4751                 0.4896
 Alpha2 Fr= 1--      0.5421                 0.9912                 0.6052
 Beta2  Fr= 1--      2.2378                 7.9233                 5.1820
 AlphaG Fr= 1--      1.1951                -0.3977                -0.4696
 Gamma2 Fr= 1--      0.1144                -4.1911                10.7527
 Delta2 Fr= 1--      0.7515                -3.9041                 5.1319
 Raman1 Fr= 1--     160.230                400.260                254.024
 ROA1   Fr= 1--      35.036               -527.279               1196.482
 CID1   Fr= 1--       0.219                 -1.317                  4.710
 Raman2 Fr= 1--      26.854                 95.079                 62.184
 ROA2   Fr= 1--      -3.265                -69.353                217.011
 CID2   Fr= 1--      -0.122                 -0.729                  3.490
 Raman3 Fr= 1--      53.708                190.158                124.369
 ROA3   Fr= 1--      35.036               -527.279               1196.482
 CID3   Fr= 1--       0.652                 -2.773                  9.620
 RC180  Fr= 1--      -0.330                 -0.050                 -0.021
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     2   6    -0.02  -0.03  -0.05    -0.01  -0.01  -0.01    -0.01  -0.02  -0.02
     3   6     0.00   0.01   0.01     0.00   0.01   0.01     0.00   0.00   0.00
     4   6    -0.00   0.00   0.01     0.02  -0.03  -0.05    -0.01   0.01   0.02
     5   6     0.01   0.01  -0.01    -0.02  -0.01   0.02    -0.02  -0.01   0.02
     6   6     0.00  -0.00   0.03    -0.00   0.00  -0.00    -0.01   0.00  -0.06
     7   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     8   1     0.14   0.06  -0.15     0.03   0.01  -0.03     0.07   0.03  -0.07
     9   1     0.15   0.33   0.76     0.03   0.07   0.17     0.07   0.16   0.36
    10   1    -0.01  -0.03  -0.11    -0.02  -0.04  -0.15    -0.01  -0.02  -0.05
    11   1     0.00  -0.04   0.00     0.01  -0.07  -0.00    -0.00   0.01   0.00
    12   1     0.05  -0.02   0.02    -0.31   0.09  -0.13     0.10  -0.03   0.05
    13   1    -0.01  -0.03  -0.09     0.08   0.27   0.73    -0.03  -0.10  -0.26
    14   6    -0.00  -0.00   0.00     0.00   0.00  -0.01     0.00   0.00  -0.00
    15   1    -0.13  -0.06   0.13     0.28   0.14  -0.29     0.23   0.12  -0.24
    16   1    -0.01   0.12   0.01     0.00  -0.01   0.00     0.02  -0.24  -0.02
    17   1    -0.04  -0.12  -0.38     0.00   0.00   0.01     0.08   0.22   0.69
    18   1     0.02   0.01  -0.02    -0.06  -0.02   0.06    -0.04  -0.02   0.04
    19   1    -0.01   0.00  -0.00     0.02  -0.01   0.01    -0.00   0.00  -0.00
    20   1    -0.00  -0.00   0.00     0.00   0.01  -0.00     0.00  -0.00   0.00
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3029.8022              3033.1190              3038.0528
 Red. masses --      1.0699                 1.0482                 1.0603
 Frc consts  --      5.7868                 5.6816                 5.7661
 IR Inten    --     47.4115                15.1479                17.0666
 RamAct Fr= 1--    118.9409               220.7915               176.2784
  Dep-P Fr= 1--      0.2383                 0.0308                 0.0755
  Dep-U Fr= 1--      0.3849                 0.0598                 0.1404
 Alpha2 Fr= 1--      1.4562                 4.5644                 3.2756
 Beta2  Fr= 1--      7.6301                 2.1988                 4.1250
 AlphaG Fr= 1--      0.5763                 1.0339                -1.4692
 Gamma2 Fr= 1--      7.2748                -5.1320                -7.5888
 Delta2 Fr= 1--      3.9813                -2.6770                -7.5154
 Raman1 Fr= 1--     475.763                883.166                705.114
 ROA1   Fr= 1--     825.781               -578.338               -969.014
 CID1   Fr= 1--       1.736                 -0.655                 -1.374
 Raman2 Fr= 1--      91.561                 26.386                 49.500
 ROA2   Fr= 1--     142.745               -101.752               -122.007
 CID2   Fr= 1--       1.559                 -3.856                 -2.465
 Raman3 Fr= 1--     183.122                 52.772                 99.001
 ROA3   Fr= 1--     825.781               -578.338               -969.014
 CID3   Fr= 1--       4.509                -10.959                 -9.788
 RC180  Fr= 1--      -0.230                 -0.880                 -0.719
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     2   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.01  -0.00   0.00
     3   6     0.00   0.00   0.01     0.00  -0.01   0.02    -0.01   0.03  -0.05
     4   6     0.00  -0.01  -0.02    -0.01   0.01   0.01     0.02  -0.00   0.02
     5   6     0.04   0.02  -0.04    -0.02  -0.01   0.02    -0.00  -0.00   0.00
     6   6    -0.00   0.00  -0.03     0.00   0.00   0.02     0.00   0.00   0.00
     7   8    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     8   1     0.00   0.00  -0.00    -0.03  -0.02   0.03     0.06   0.03  -0.06
     9   1     0.01   0.02   0.05    -0.01  -0.03  -0.07     0.01   0.02   0.05
    10   1    -0.02  -0.04  -0.15    -0.04  -0.08  -0.26     0.09   0.19   0.63
    11   1     0.00   0.01   0.00    -0.02   0.25   0.02     0.03  -0.50  -0.04
    12   1    -0.07   0.02  -0.03     0.14  -0.04   0.05    -0.27   0.08  -0.10
    13   1     0.02   0.10   0.26    -0.02  -0.07  -0.18    -0.01  -0.05  -0.12
    14   6    -0.01  -0.01  -0.02    -0.01  -0.01  -0.04    -0.01  -0.01  -0.02
    15   1    -0.47  -0.23   0.48     0.21   0.10  -0.21     0.05   0.02  -0.05
    16   1     0.01  -0.11  -0.01    -0.01   0.06   0.01    -0.00  -0.00  -0.00
    17   1     0.04   0.11   0.36    -0.03  -0.07  -0.23    -0.00  -0.01  -0.03
    18   1    -0.12  -0.05   0.12    -0.34  -0.13   0.35    -0.13  -0.05   0.13
    19   1     0.30  -0.10   0.10     0.41  -0.13   0.13     0.26  -0.09   0.08
    20   1    -0.00   0.30  -0.03     0.00   0.39  -0.04    -0.00   0.23  -0.02
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3058.8450              3072.3535              3094.3196
 Red. masses --      1.0924                 1.1031                 1.1012
 Frc consts  --      6.0222                 6.1351                 6.2125
 IR Inten    --     46.5471                46.5897                15.0190
 RamAct Fr= 1--    155.5160                68.9243                49.2157
  Dep-P Fr= 1--      0.1901                 0.4925                 0.6634
  Dep-U Fr= 1--      0.3195                 0.6599                 0.7977
 Alpha2 Fr= 1--      2.1679                 0.3524                 0.0759
 Beta2  Fr= 1--      8.2804                 7.5809                 6.5430
 AlphaG Fr= 1--     -1.0061                -0.4925                 0.2139
 Gamma2 Fr= 1--      9.4465               -26.2621                -6.7361
 Delta2 Fr= 1--      8.4977               -12.9705                -5.5566
 Raman1 Fr= 1--     622.064                275.697                196.863
 ROA1   Fr= 1--    1178.790              -2936.212               -824.475
 CID1   Fr= 1--       1.895                -10.650                 -4.188
 Raman2 Fr= 1--      99.364                 90.971                 78.516
 ROA2   Fr= 1--     158.735               -526.525               -117.212
 CID2   Fr= 1--       1.598                 -5.788                 -1.493
 Raman3 Fr= 1--     198.728                181.942                157.032
 ROA3   Fr= 1--    1178.790              -2936.212               -824.475
 CID3   Fr= 1--       5.932                -16.138                 -5.250
 RC180  Fr= 1--      -0.361                  0.320                  0.595
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     2   6    -0.00   0.00   0.00    -0.01  -0.01  -0.00     0.00   0.00  -0.00
     3   6    -0.00   0.03  -0.01    -0.00  -0.07  -0.05     0.00  -0.00  -0.00
     4   6    -0.07   0.01  -0.05    -0.01  -0.00  -0.02     0.00  -0.00   0.00
     5   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     6   6     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.03   0.01
     7   8    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     8   1     0.02   0.01  -0.02     0.08   0.04  -0.08    -0.02  -0.01   0.02
     9   1    -0.00  -0.01  -0.02     0.02   0.04   0.10     0.00   0.00   0.00
    10   1     0.02   0.04   0.12     0.08   0.15   0.57     0.00   0.00   0.01
    11   1     0.02  -0.39  -0.02    -0.05   0.72   0.02    -0.00   0.01  -0.00
    12   1     0.76  -0.23   0.28     0.14  -0.04   0.05    -0.04   0.02  -0.02
    13   1     0.02   0.12   0.30     0.02   0.08   0.21    -0.00  -0.01  -0.01
    14   6     0.00  -0.00  -0.00    -0.01  -0.01   0.00     0.05  -0.06   0.01
    15   1     0.03   0.02  -0.03     0.01   0.00  -0.01    -0.01  -0.00   0.01
    16   1     0.00  -0.02  -0.00     0.00  -0.02  -0.00     0.04  -0.38  -0.02
    17   1    -0.00  -0.00  -0.01     0.00   0.00   0.01    -0.01  -0.03  -0.11
    18   1    -0.04  -0.02   0.04     0.05   0.02  -0.06    -0.06  -0.04   0.08
    19   1     0.01  -0.00   0.00     0.06  -0.02   0.02    -0.60   0.18  -0.20
    20   1     0.00   0.06  -0.01    -0.00   0.08  -0.01     0.01   0.62  -0.05
                     52                     53                     54
                      A                      A                      A
 Frequencies --   3095.9944              3098.6575              3103.3695
 Red. masses --      1.1004                 1.0964                 1.0947
 Frc consts  --      6.2146                 6.2027                 6.2115
 IR Inten    --     23.2835                38.9040                19.9042
 RamAct Fr= 1--     19.6583               124.5632               106.5143
  Dep-P Fr= 1--      0.5159                 0.5207                 0.3051
  Dep-U Fr= 1--      0.6806                 0.6848                 0.4676
 Alpha2 Fr= 1--      0.0900                 0.5566                 1.0758
 Beta2  Fr= 1--      2.2300                14.2165                 8.3008
 AlphaG Fr= 1--     -0.0010                 0.0992                -0.1721
 Gamma2 Fr= 1--     13.8951                -3.3818                 5.3559
 Delta2 Fr= 1--     10.1153                 0.7208                 3.7209
 Raman1 Fr= 1--      78.633                498.253                426.057
 ROA1   Fr= 1--    1657.619               -301.585                633.233
 CID1   Fr= 1--      21.080                 -0.605                  1.486
 Raman2 Fr= 1--      26.760                170.598                 99.609
 ROA2   Fr= 1--     252.560                -86.929                 98.773
 CID2   Fr= 1--       9.438                 -0.510                  0.992
 Raman3 Fr= 1--      53.519                341.196                199.218
 ROA3   Fr= 1--    1657.619               -301.585                633.233
 CID3   Fr= 1--      30.972                 -0.884                  3.179
 RC180  Fr= 1--       0.361                  0.370                 -0.065
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     2   6    -0.01  -0.00   0.01    -0.01  -0.00   0.01    -0.05  -0.02   0.07
     3   6    -0.00  -0.01  -0.01     0.00   0.00   0.00     0.00   0.00   0.01
     4   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     5   6     0.01   0.00  -0.01    -0.00  -0.00   0.00    -0.00   0.00   0.00
     6   6     0.00  -0.03  -0.01     0.00  -0.07  -0.02    -0.00   0.01   0.00
     7   8    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     8   1     0.08   0.04  -0.08     0.07   0.03  -0.06     0.67   0.30  -0.60
     9   1    -0.00  -0.00  -0.01    -0.01  -0.01  -0.02    -0.05  -0.10  -0.22
    10   1     0.02   0.03   0.11    -0.01  -0.01  -0.04    -0.02  -0.03  -0.12
    11   1    -0.00   0.06   0.00     0.00  -0.02  -0.00    -0.00  -0.01   0.00
    12   1    -0.02   0.01  -0.01     0.00  -0.00   0.00    -0.02   0.00  -0.01
    13   1     0.00   0.01   0.02    -0.00  -0.00  -0.01    -0.00  -0.01  -0.02
    14   6     0.07   0.03  -0.04     0.00  -0.04   0.02    -0.01  -0.00   0.00
    15   1    -0.09  -0.04   0.10     0.04   0.02  -0.04     0.00   0.00  -0.00
    16   1    -0.03   0.27   0.01    -0.09   0.81   0.03     0.01  -0.13  -0.00
    17   1     0.01   0.02   0.09     0.03   0.06   0.23    -0.00  -0.01  -0.04
    18   1    -0.51  -0.19   0.54     0.14   0.04  -0.15     0.04   0.02  -0.04
    19   1    -0.34   0.12  -0.13    -0.15   0.04  -0.04     0.03  -0.01   0.01
    20   1     0.02  -0.35   0.02     0.00   0.42  -0.03    -0.00   0.01  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  6 and mass  12.00000
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Molecular mass:   112.08882 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   657.85592 905.368791227.62861
           X            0.99548   0.09292   0.01983
           Y           -0.09289   0.99567  -0.00240
           Z           -0.01997   0.00054   0.99980
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.13166     0.09567     0.07055
 Rotational constants (GHZ):           2.74337     1.99338     1.47010
 Zero-point vibrational energy     469607.0 (Joules/Mol)
                                  112.23877 (Kcal/Mol)
 Warning -- explicit consideration of  10 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    124.26   181.56   307.70   379.20   496.59
          (Kelvin)            524.43   617.60   669.38   713.47   803.68
                              976.89  1079.43  1136.59  1191.59  1267.48
                             1298.73  1378.84  1405.85  1413.54  1495.03
                             1534.73  1550.87  1622.34  1652.07  1725.74
                             1794.11  1798.28  1840.80  1884.23  1930.16
                             1957.49  1976.86  1989.39  2008.83  2045.09
                             2109.76  2121.83  2141.88  2156.30  2164.47
                             2177.04  2569.73  4329.39  4331.67  4341.07
                             4359.21  4363.98  4371.08  4401.00  4420.43
                             4452.04  4454.45  4458.28  4465.06
 
 Zero-point correction=                           0.178864 (Hartree/Particle)
 Thermal correction to Energy=                    0.186687
 Thermal correction to Enthalpy=                  0.187632
 Thermal correction to Gibbs Free Energy=         0.146815
 Sum of electronic and zero-point Energies=           -349.193398
 Sum of electronic and thermal Energies=              -349.185575
 Sum of electronic and thermal Enthalpies=            -349.184631
 Sum of electronic and thermal Free Energies=         -349.225447
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  117.148             30.256             85.906
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.058
 Rotational               0.889              2.981             28.082
 Vibrational            115.371             24.294             17.765
 Vibration     1          0.601              1.959              3.741
 Vibration     2          0.611              1.927              3.003
 Vibration     3          0.644              1.820              2.010
 Vibration     4          0.670              1.740              1.638
 Vibration     5          0.724              1.585              1.188
 Vibration     6          0.738              1.545              1.103
 Vibration     7          0.791              1.407              0.861
 Vibration     8          0.823              1.327              0.751
 Vibration     9          0.851              1.259              0.668
 Vibration    10          0.914              1.121              0.527
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.295050D-67        -67.530104       -155.493811
 Total V=0       0.551433D+15         14.741493         33.943541
 Vib (Bot)       0.206653D-80        -80.684759       -185.783522
 Vib (Bot)    1  0.238222D+01          0.376982          0.868033
 Vib (Bot)    2  0.161703D+01          0.208717          0.480588
 Vib (Bot)    3  0.927272D+00         -0.032793         -0.075509
 Vib (Bot)    4  0.735655D+00         -0.133326         -0.306994
 Vib (Bot)    5  0.536231D+00         -0.270648         -0.623190
 Vib (Bot)    6  0.501346D+00         -0.299863         -0.690459
 Vib (Bot)    7  0.406145D+00         -0.391319         -0.901045
 Vib (Bot)    8  0.364004D+00         -0.438894         -1.010591
 Vib (Bot)    9  0.332639D+00         -0.478026         -1.100696
 Vib (Bot)   10  0.278623D+00         -0.554983         -1.277895
 Vib (V=0)       0.386223D+02          1.586838          3.653830
 Vib (V=0)    1  0.293413D+01          0.467479          1.076410
 Vib (V=0)    2  0.219256D+01          0.340952          0.785071
 Vib (V=0)    3  0.155349D+01          0.191307          0.440501
 Vib (V=0)    4  0.138949D+01          0.142855          0.328935
 Vib (V=0)    5  0.123317D+01          0.091024          0.209591
 Vib (V=0)    6  0.120806D+01          0.082088          0.189015
 Vib (V=0)    7  0.114417D+01          0.058490          0.134679
 Vib (V=0)    8  0.111846D+01          0.048622          0.111957
 Vib (V=0)    9  0.110054D+01          0.041606          0.095801
 Vib (V=0)   10  0.107239D+01          0.030353          0.069890
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.466442D+08          7.668797         17.658058
 Rotational      0.306096D+06          5.485857         12.631653
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000013700   -0.000002233   -0.000003183
      2        6          -0.000004999    0.000039617   -0.000010300
      3        6          -0.000001861    0.000000296    0.000002682
      4        6           0.000011671   -0.000011962   -0.000004619
      5        6           0.000015039    0.000009010    0.000021512
      6        6          -0.000007476   -0.000006649   -0.000003266
      7        8          -0.000001107    0.000002105   -0.000006063
      8        1           0.000001493   -0.000004377    0.000000119
      9        1          -0.000001746   -0.000003527    0.000002594
     10        1           0.000000288    0.000004125    0.000002689
     11        1           0.000002883    0.000000809    0.000000402
     12        1           0.000004840    0.000001077    0.000001270
     13        1           0.000003678   -0.000002355    0.000001251
     14        6          -0.000000668   -0.000012361   -0.000001929
     15        1          -0.000003634    0.000003384   -0.000001910
     16        1          -0.000001401   -0.000001529    0.000004060
     17        1          -0.000000503   -0.000002970   -0.000001054
     18        1           0.000002630   -0.000010571    0.000003519
     19        1          -0.000001918   -0.000002124   -0.000007950
     20        1          -0.000003510    0.000000236    0.000000177
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000039617 RMS     0.000007845
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.894979D+02 -0.163114D+01 -0.230911D+01
      2  -0.163114D+01  0.869409D+02  0.496067D+00
      3  -0.230911D+01  0.496067D+00  0.758414D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1  -0.709495D+00  0.384724D+01 -0.335541D+01
      2  -0.119701D+02  0.611157D-01 -0.162162D+02
      3   0.108941D+02  0.117325D+02  0.886113D+00
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1  -0.262935D+02 -0.192850D+02 -0.247812D+02
      2   0.153315D+02  0.204280D+02  0.147600D+01
      3   0.109620D+02 -0.114292D+01  0.233052D+02
      4  -0.345177D+01 -0.220315D+02 -0.135271D+01
      5  -0.222040D+02 -0.131132D+01 -0.335588D+02
      6   0.603486D+00 -0.307273D+01  0.774934D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    60 ND12= 1 LenFil=    2163:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.412698D+01  0.453910D+01  0.100982D+01  0.469584D+01 -0.164790D+01
      2   0.453910D+01 -0.474022D+00 -0.228221D+01 -0.164790D+01 -0.232671D+01
      3   0.100982D+01 -0.228221D+01  0.301983D+00 -0.208320D+01  0.158025D+01
                 6             7             8             9            10 
      1  -0.208320D+01  0.171529D+01 -0.262216D+01 -0.217921D+00  0.318166D+00
      2   0.158025D+01 -0.262216D+01  0.112140D+01  0.189804D+01 -0.387248D+01
      3   0.178395D+01 -0.217921D+00  0.189804D+01  0.118830D+01  0.254399D+01
                11            12            13            14            15 
      1  -0.387248D+01  0.254399D+01 -0.361943D+01  0.507763D+00  0.753542D+00
      2  -0.372073D+00  0.553157D+00  0.507763D+00  0.244851D+01 -0.142749D+01
      3   0.553157D+00 -0.262039D+01  0.753542D+00 -0.142749D+01 -0.240450D+01
                16            17            18            19            20 
      1   0.397118D+01  0.450170D+00 -0.305812D+01 -0.294965D+01  0.324627D+01
      2   0.450170D+00 -0.160072D+01 -0.342721D+01  0.324627D+01 -0.303247D+00
      3  -0.305812D+01 -0.342721D+01 -0.303472D+01 -0.179021D+01 -0.152509D+00
                21            22            23            24            25 
      1  -0.179021D+01  0.221247D+01  0.886742D+00 -0.156925D+00 -0.203676D+01
      2  -0.152509D+00  0.886742D+00 -0.752822D+01  0.481669D+00  0.253055D-01
      3   0.167804D+01 -0.156925D+00  0.481669D+00  0.192815D+01  0.172658D+01
                26            27            28            29            30 
      1   0.253055D-01  0.172658D+01  0.578652D+01 -0.346819D+01  0.283302D+01
      2  -0.546422D+00  0.196607D+01 -0.346819D+01  0.177000D+00 -0.936487D-01
      3   0.196607D+01  0.571997D+01  0.283302D+01 -0.936487D-01 -0.934991D+00
                31            32            33            34            35 
      1  -0.326768D+01 -0.214732D+00  0.770093D-01  0.385917D+01 -0.252237D+00
      2  -0.214732D+00  0.428386D+01 -0.297644D+00 -0.252237D+00 -0.760844D+00
      3   0.770093D-01 -0.297644D+00 -0.270987D+01 -0.565177D+00 -0.351551D+01
                36            37            38            39            40 
      1  -0.565177D+00 -0.392993D+01  0.289425D+01 -0.352218D+01  0.395183D+01
      2  -0.351551D+01  0.289425D+01  0.977682D+00  0.467939D-01  0.819203D+00
      3  -0.555454D+01 -0.352218D+01  0.467939D-01  0.264453D+01 -0.172376D+00
                41            42            43            44            45 
      1   0.819203D+00 -0.172376D+00 -0.461720D+01 -0.129772D+00  0.327049D+01
      2  -0.472538D+01 -0.351908D-01 -0.129772D+00  0.336438D+00  0.357654D+01
      3  -0.351908D-01  0.316801D+01  0.327049D+01  0.357654D+01  0.114663D+01
                46            47            48            49            50 
      1   0.448828D+01 -0.271361D+01  0.155043D+01 -0.188938D+01 -0.169931D+01
      2  -0.271361D+01 -0.170474D+01  0.612496D+00 -0.169931D+01  0.723982D+01
      3   0.155043D+01  0.612496D+00 -0.132230D+01  0.326968D+00 -0.255779D+00
                51            52            53            54            55 
      1   0.326968D+00  0.131330D+01  0.219241D+00 -0.589152D+00  0.113567D+02
      2  -0.255779D+00  0.219241D+00  0.689616D+00 -0.224970D+01 -0.476364D+01
      3  -0.271529D+01 -0.589152D+00 -0.224970D+01 -0.539330D+01 -0.271550D+01
                56            57            58            59            60 
      1  -0.476364D+01 -0.271550D+01 -0.513767D+01  0.441675D+01  0.155365D+01
      2   0.308434D+01  0.130818D+01  0.441675D+01 -0.447600D+01 -0.198030D+01
      3   0.130818D+01  0.170361D+01  0.155365D+01 -0.198030D+01 -0.176017D+01
                61            62            63            64            65 
      1  -0.382809D+01  0.206259D+01  0.336243D+01  0.557869D+01  0.241754D+01
      2   0.206259D+01 -0.191746D+01 -0.262006D+01  0.241754D+01  0.206238D+01
      3   0.336243D+01 -0.262006D+01 -0.340722D+01 -0.234561D+01 -0.973780D+00
                66            67            68            69            70 
      1  -0.234561D+01  0.176506D+01  0.164807D+01 -0.561640D+00 -0.342143D+01
      2  -0.973780D+00  0.164807D+01  0.153436D+01 -0.925232D+00 -0.130644D+01
      3   0.186490D+01 -0.561640D+00 -0.925232D+00  0.985870D+00  0.234485D+01
                71            72            73            74            75 
      1  -0.130644D+01  0.234485D+01  0.769503D+00  0.156423D+01  0.978663D+00
      2  -0.158039D+01  0.168246D+01  0.156423D+01  0.567220D+00  0.493498D+00
      3   0.168246D+01 -0.240708D+01  0.978663D+00  0.493498D+00  0.998154D+00
                76            77            78            79            80 
      1   0.144852D+01  0.665250D+00  0.521445D+00  0.171922D+01  0.814156D+00
      2   0.665250D+00  0.227942D+01  0.187260D+01  0.814156D+00  0.333039D+01
      3   0.521445D+00  0.187260D+01  0.195826D+01  0.191558D+01  0.271378D+01
                81            82            83            84            85 
      1   0.191558D+01 -0.308686D+00 -0.479320D+00 -0.863038D+00 -0.847136D+00
      2   0.271378D+01 -0.479320D+00 -0.189486D+00  0.837149D-01 -0.454435D+00
      3   0.546329D+01 -0.863038D+00  0.837149D-01 -0.834621D+00 -0.183813D+00
                86            87            88            89            90 
      1  -0.454435D+00 -0.183813D+00 -0.152671D+01 -0.989955D-01 -0.116606D+01
      2   0.135739D+00 -0.102298D+01 -0.989955D-01 -0.130652D+01  0.250794D+00
      3  -0.102298D+01 -0.109972D+01 -0.116606D+01  0.250794D+00 -0.767410D+01
                91            92            93            94            95 
      1  -0.127802D+00  0.120839D+01  0.182456D+00  0.150059D+01 -0.937288D+00
      2   0.120839D+01 -0.697944D+00  0.459693D-01 -0.937288D+00  0.118594D+02
      3   0.182456D+00  0.459693D-01 -0.330312D+00  0.893152D-01 -0.117193D+01
                96            97            98            99           100 
      1   0.893152D-01  0.428637D+00 -0.118252D-01 -0.364998D+00 -0.918102D+01
      2  -0.117193D+01 -0.118252D-01  0.934101D-01  0.110887D+01  0.279392D+01
      3   0.952913D+00 -0.364998D+00  0.110887D+01 -0.735761D+00 -0.114382D+01
               101           102           103           104           105 
      1   0.279392D+01 -0.114382D+01  0.206341D+01 -0.192184D+01  0.133909D+00
      2  -0.227156D+01  0.252392D+00 -0.192184D+01  0.109419D+01 -0.361655D+00
      3   0.252392D+00 -0.106708D+01  0.133909D+00 -0.361655D+00  0.653655D+00
               106           107           108           109           110 
      1  -0.238371D+01  0.690060D+00 -0.130216D+01 -0.402580D+00  0.927960D+00
      2   0.690060D+00 -0.914232D+00  0.955357D+00  0.927960D+00  0.295446D+00
      3  -0.130216D+01  0.955357D+00 -0.327934D+00  0.714892D+00  0.624033D-01
               111           112           113           114           115 
      1   0.714892D+00  0.913619D+00 -0.114073D+00 -0.340691D+00  0.111716D+01
      2   0.624033D-01 -0.114073D+00  0.157447D+01  0.194992D+01 -0.287047D+00
      3   0.437481D+00 -0.340691D+00  0.194992D+01  0.228076D+01 -0.832972D+00
               116           117           118           119           120 
      1  -0.287047D+00 -0.832972D+00  0.444602D+01 -0.206127D+01  0.371746D+01
      2   0.279437D+01  0.292577D+01 -0.206127D+01 -0.400482D+00 -0.439465D+00
      3   0.292577D+01  0.748934D+01  0.371746D+01 -0.439465D+00 -0.157193D+01
               121           122           123           124           125 
      1  -0.273074D+01  0.336313D+00 -0.804988D+00  0.330182D+01 -0.488460D+00
      2   0.336313D+00  0.718427D+01 -0.266009D+00 -0.488460D+00 -0.133487D+01
      3  -0.804988D+00 -0.266009D+00 -0.245015D+01 -0.229992D+01 -0.276753D+01
               126           127           128           129           130 
      1  -0.229992D+01 -0.488880D+01 -0.191082D+01  0.302697D+01 -0.197665D+01
      2  -0.276753D+01 -0.191082D+01 -0.163894D+01  0.756901D+00 -0.173439D+01
      3  -0.438378D+00  0.302697D+01  0.756901D+00 -0.288523D+01  0.799513D+00
               131           132           133           134           135 
      1  -0.173439D+01  0.799513D+00  0.343019D+01  0.922925D+00 -0.304819D+01
      2  -0.113786D+01  0.129410D+01  0.922925D+00  0.137288D+01 -0.173902D+01
      3   0.129410D+01 -0.165210D+01 -0.304819D+01 -0.173902D+01  0.405278D+01
               136           137           138           139           140 
      1   0.244310D+00 -0.111284D+01 -0.114395D+00 -0.148937D+01  0.961602D+00
      2  -0.111284D+01  0.113820D+01 -0.306992D+00  0.961602D+00 -0.926971D+01
      3  -0.114395D+00 -0.306992D+00  0.255481D+00 -0.347890D+00  0.144191D+01
               141           142           143           144           145 
      1  -0.347890D+00 -0.387835D+00 -0.235771D-01  0.224354D+00 -0.416997D+00
      2   0.144191D+01 -0.235771D-01 -0.218038D+00 -0.931226D+00  0.537311D+00
      3  -0.128198D+01  0.224354D+00 -0.931226D+00  0.832997D+00  0.109554D+01
               146           147           148           149           150 
      1   0.537311D+00  0.109554D+01  0.122201D+01  0.344840D+00  0.114004D-01
      2   0.214758D+00 -0.147550D+00  0.344840D+00 -0.125285D-01  0.112285D+01
      3  -0.147550D+00  0.106318D+01  0.114004D-01  0.112285D+01  0.177213D+01
               151           152           153           154           155 
      1   0.152810D+01  0.936348D-01  0.784026D+00  0.213402D+01  0.735722D+00
      2   0.936348D-01  0.125454D+01  0.320711D+00  0.735722D+00  0.107887D+01
      3   0.784026D+00  0.320711D+00  0.918310D+01 -0.152737D+01  0.138695D+00
               156           157           158           159           160 
      1  -0.152737D+01  0.826655D+00  0.528115D+00 -0.494251D-01 -0.188082D+01
      2   0.138695D+00  0.528115D+00 -0.298499D+00 -0.536336D+00 -0.277127D+00
      3   0.267745D+01 -0.494251D-01 -0.536336D+00  0.920162D+00  0.141540D+01
               161           162           163           164           165 
      1  -0.277127D+00  0.141540D+01 -0.806495D+01  0.367874D+00 -0.320193D+01
      2  -0.984611D+00  0.249812D+00  0.367874D+00 -0.144483D+01 -0.388665D-01
      3   0.249812D+00 -0.449823D+01 -0.320193D+01 -0.388665D-01 -0.227767D+01
               166           167           168           169           170 
      1   0.175987D+01 -0.995843D+00  0.763853D+00 -0.220893D+01  0.156174D+00
      2  -0.995843D+00  0.284697D-02 -0.359732D+00  0.156174D+00 -0.217359D+00
      3   0.763853D+00 -0.359732D+00  0.102666D+01 -0.172539D+01  0.330454D+00
               171           172           173           174           175 
      1  -0.172539D+01 -0.724862D+00 -0.850401D+00 -0.429177D+00 -0.140184D+01
      2   0.330454D+00 -0.850401D+00 -0.985641D-01  0.808254D-01 -0.139484D+01
      3  -0.165644D+01 -0.429177D+00  0.808254D-01  0.219707D+00 -0.329658D+00
               176           177           178           179           180 
      1  -0.139484D+01 -0.329658D+00 -0.926002D-01  0.633865D-01  0.126368D+00
      2  -0.986202D+01 -0.110302D+01  0.633865D-01  0.388418D+00 -0.728407D+00
      3  -0.110302D+01 -0.135675D+01  0.126368D+00 -0.728407D+00  0.512990D-01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.718771D+01  0.889130D+01 -0.258591D+01  0.849068D+01 -0.152841D+01
      2  -0.826131D+01 -0.899054D+01 -0.178065D+01 -0.796452D+01  0.161275D+01
      3  -0.433550D+01 -0.697683D+01  0.274780D+01  0.142310D+01 -0.177575D+01
                 6             7             8             9            10 
      1   0.673387D+01 -0.165855D+01  0.138831D+02 -0.392762D+01 -0.665813D+01
      2  -0.271768D-01 -0.114170D+02 -0.148440D+01  0.116191D+02  0.826928D+01
      3  -0.744364D+01  0.100335D+01 -0.103777D+02  0.197958D+01  0.122914D+02
                11            12            13            14            15 
      1  -0.193014D+00  0.287850D+01 -0.291040D+01  0.170480D+01 -0.152508D+01
      2   0.128145D+01 -0.248063D+01  0.241181D+01 -0.239734D+01 -0.241058D+01
      3  -0.783017D+01  0.287915D+01 -0.171665D+00 -0.411970D+01  0.441093D+01
                16            17            18            19            20 
      1   0.308385D+01  0.845653D+01  0.611089D+01  0.485887D+01 -0.157944D+01
      2  -0.802312D+01 -0.412059D+01 -0.523478D+01 -0.105641D+01  0.160867D+01
      3   0.416040D+01  0.297260D+01 -0.249224D+00 -0.760102D+01  0.863995D+01
                21            22            23            24            25 
      1  -0.247434D+01  0.126281D+01  0.243617D+01 -0.671666D+01 -0.291336D+01
      2   0.254881D+00 -0.423489D+00  0.348390D+01 -0.102106D+01 -0.529198D+01
      3  -0.517492D+01  0.944699D+01  0.140116D+01 -0.193604D+01 -0.525711D+01
                26            27            28            29            30 
      1  -0.108001D+01 -0.121217D+02 -0.534101D+01  0.450492D+00  0.106434D+01
      2  -0.205257D+00  0.375028D+00 -0.984695D+01  0.123459D+01  0.249229D+01
      3  -0.160759D+01  0.341144D+01  0.351689D+00 -0.838968D+01  0.370297D+01
                31            32            33            34            35 
      1   0.746845D+00  0.366150D+01  0.165672D+01  0.510137D+00  0.730832D+01
      2   0.137722D+01  0.703325D+00  0.454653D+01 -0.378698D+01  0.557611D+01
      3  -0.203371D+01  0.721500D+01  0.769417D-01  0.458759D+01 -0.123137D+01
                36            37            38            39            40 
      1   0.501143D+01 -0.558611D+00  0.359347D+00  0.966685D+00  0.869603D+00
      2   0.797466D+01  0.132308D+02 -0.975311D+00  0.153963D+01 -0.586388D+01
      3  -0.566268D+01  0.763002D+01 -0.491650D+01  0.231997D+01 -0.700417D+00
                41            42            43            44            45 
      1  -0.341782D+01 -0.133705D+01 -0.104455D+01  0.637049D+01  0.227786D+01
      2  -0.168498D+01 -0.312720D+01 -0.193783D+01 -0.402743D+01 -0.213464D+01
      3  -0.950309D+01  0.131131D+01  0.473775D+01  0.106118D+01  0.268156D+01
                46            47            48            49            50 
      1  -0.610828D+00 -0.347422D+01 -0.244645D+01 -0.332205D+01  0.808383D+01
      2  -0.823629D+01  0.443547D+01  0.720716D+00  0.561145D+01  0.150192D+01
      3  -0.358411D+01  0.393697D+01 -0.214427D+01  0.104003D+02 -0.264640D+01
                51            52            53            54            55 
      1  -0.792948D+01  0.474992D+00 -0.945517D+00 -0.798095D+01 -0.432083D+01
      2   0.177544D+01 -0.838604D+01  0.505586D+00 -0.266671D+01 -0.268213D+01
      3   0.123385D+01 -0.339154D+01  0.105851D+01  0.575603D+00  0.865018D+00
                56            57            58            59            60 
      1  -0.417493D+01  0.390232D+01 -0.140721D+01  0.277445D+00 -0.707028D+01
      2   0.400899D+01  0.979521D+01  0.394383D+01 -0.339588D+01 -0.396537D+01
      3  -0.886466D+01 -0.743561D+00  0.836940D+00  0.101984D+02  0.336476D+01
                61            62            63            64            65 
      1   0.127976D+01 -0.887663D+00 -0.792141D+00  0.308460D+01  0.109340D+01
      2   0.425396D+01 -0.125624D+01 -0.102339D+02 -0.216572D+01 -0.218458D+01
      3   0.933589D+00  0.818735D+01  0.908593D+00  0.501768D+01 -0.255201D+01
                66            67            68            69            70 
      1  -0.330906D+01  0.126996D+01  0.114910D+01 -0.259650D+01 -0.347183D+01
      2   0.480229D+01 -0.704277D+00 -0.110674D+01  0.193976D+01  0.210937D+01
      3  -0.154673D+01  0.175364D+01  0.363591D+00  0.121299D+00 -0.347787D+01
                71            72            73            74            75 
      1  -0.487558D+00  0.360090D+01 -0.135465D+01 -0.847216D+00 -0.187481D+01
      2   0.229826D+01 -0.453937D+01  0.111676D+01  0.786270D+00  0.282137D+01
      3   0.144416D+01  0.585671D+00 -0.119170D+01  0.931612D+00  0.729103D+00
                76            77            78            79            80 
      1  -0.606459D+00 -0.137223D+01 -0.372335D+01 -0.281133D+01 -0.357374D+01
      2   0.373077D+00  0.194873D+01  0.286558D+01  0.963114D+00  0.509704D+01
      3   0.267767D+01 -0.220435D+01 -0.176118D+01  0.240806D+01 -0.253841D+01
                81            82            83            84            85 
      1  -0.910871D+01  0.184822D+01  0.869533D+00  0.193056D+01  0.121939D+01
      2   0.893390D+01 -0.840903D-01 -0.501083D+00  0.643491D+00 -0.151425D+01
      3  -0.316993D+00 -0.644985D+00 -0.303337D+01 -0.153853D+01 -0.167153D+01
                86            87            88            89            90 
      1   0.306737D+01  0.292834D+01  0.252797D+01  0.418460D+01  0.153030D+02
      2  -0.639987D+00 -0.135833D-01 -0.358677D+01 -0.476668D+00  0.790335D+00
      3  -0.319029D+00 -0.276164D+00 -0.289457D+01 -0.815218D+00 -0.181596D+01
                91            92            93            94            95 
      1  -0.970516D+00  0.317396D+00  0.468136D+00 -0.299144D+00 -0.212639D+01
      2  -0.600838D-02  0.378344D+00  0.109340D+01  0.180004D+01 -0.145313D+01
      3   0.672168D-01  0.872143D+00  0.884679D+00  0.697671D+01  0.136571D+00
                96            97            98            99           100 
      1  -0.423327D+01  0.344168D+00 -0.960936D+00  0.144985D+01  0.307515D+01
      2  -0.302014D+00 -0.234025D+00 -0.579385D+00 -0.195473D+00  0.596510D+01
      3  -0.309319D+00  0.160361D+01 -0.432491D+00 -0.538252D+00 -0.764866D+01
               101           102           103           104           105 
      1  -0.109670D+01  0.225201D+01 -0.113162D+01  0.908947D+00 -0.194476D+01
      2  -0.193231D+01  0.509262D+01 -0.983785D+00  0.139775D+01 -0.180058D+01
      3  -0.396407D+01 -0.900824D+00  0.954812D+00 -0.295944D+00 -0.579701D+00
               106           107           108           109           110 
      1   0.197018D+01 -0.424680D+00  0.112618D+01  0.524602D-01  0.653957D+00
      2   0.230289D+01 -0.211453D+01  0.174196D+01 -0.787127D+00 -0.629142D+00
      3  -0.257741D+01 -0.183042D+01  0.158909D+00  0.130936D+01  0.101772D+01
               111           112           113           114           115 
      1  -0.828824D+00  0.327504D+00 -0.580520D+00 -0.287601D+01  0.752788D+00
      2  -0.807383D-01 -0.708301D+00 -0.290120D+01 -0.315583D+01 -0.234119D+01
      3   0.685724D+00  0.280163D+01  0.186323D+01  0.243471D+01  0.188405D+01
               116           117           118           119           120 
      1   0.144402D+01 -0.779012D+01  0.870513D+01 -0.162754D+00 -0.265360D+01
      2  -0.401064D+01 -0.109773D+02 -0.298436D+01 -0.783005D+00  0.116103D+02
      3   0.413967D+01  0.312071D+01 -0.104908D+02  0.305270D+00 -0.682802D+01
               121           122           123           124           125 
      1  -0.286502D+01 -0.102530D+02 -0.688526D+01 -0.284652D+01 -0.161237D+01
      2  -0.705708D+00  0.102825D+01  0.395342D+01  0.684005D+01  0.493528D+01
      3   0.662262D+01  0.130569D+02  0.338254D+00 -0.586811D+01 -0.155228D+01
               126           127           128           129           130 
      1   0.326993D+01  0.336025D-01 -0.189570D+01 -0.127927D+01 -0.127982D+01
      2  -0.176595D+01  0.376856D+00  0.270333D+00  0.319725D+01  0.137603D+01
      3  -0.192873D+01  0.903207D+00 -0.335249D+01 -0.126763D+01  0.448669D+00
               131           132           133           134           135 
      1  -0.660069D+00 -0.135675D+01  0.363085D-01  0.173857D+01  0.950503D+00
      2  -0.353572D+00  0.248545D+01 -0.159706D+01  0.181536D+01 -0.364919D+01
      3  -0.100710D+01  0.149297D+01 -0.276551D+01  0.253764D+01 -0.356868D+00
               136           137           138           139           140 
      1  -0.808774D+00  0.627868D+00  0.156816D+00  0.318304D+00 -0.943705D+01
      2  -0.724583D+00  0.921577D+00  0.129286D+01  0.201937D+01 -0.787720D+00
      3  -0.109899D+01 -0.671532D+00  0.687202D+00  0.514313D+01  0.195480D+01
               141           142           143           144           145 
      1  -0.272889D+01  0.527747D+00 -0.238737D+00 -0.327538D+00  0.128395D+01
      2  -0.319972D+00 -0.472782D+00 -0.205017D+00 -0.141908D+00  0.111473D+01
      3   0.243968D+00  0.706099D+00  0.656858D+00  0.186500D+00  0.896939D+00
               146           147           148           149           150 
      1   0.264732D+00  0.220413D+01 -0.404804D+00  0.133666D+01  0.359123D+01
      2  -0.553340D+00 -0.925521D+00 -0.179412D+01 -0.645179D-01 -0.271041D+00
      3  -0.171449D+01 -0.162990D+01 -0.166306D+00 -0.273236D+00 -0.879226D+00
               151           152           153           154           155 
      1   0.720449D+00  0.435382D+01  0.115673D+02 -0.403714D+01 -0.289262D+01
      2  -0.354379D+01  0.292397D+00  0.134262D+00  0.784001D+01  0.147979D+01
      3  -0.140114D+01 -0.495284D+00 -0.202630D+01 -0.215149D+01 -0.701323D+00
               156           157           158           159           160 
      1   0.406293D+01 -0.146870D+01 -0.157565D+01  0.148355D+01  0.346156D+01
      2  -0.575249D+01  0.199364D+01  0.200220D+01 -0.172469D+01 -0.790267D+01
      3   0.233092D+01  0.415637D+00 -0.105017D+01 -0.709170D+00  0.220033D+01
               161           162           163           164           165 
      1   0.410766D+01 -0.676771D+01 -0.529847D+01  0.257059D+01 -0.282731D+01
      2  -0.158229D+01  0.909144D+01 -0.293147D+01  0.995146D+00  0.368637D+01
      3  -0.433949D+00 -0.195010D+01  0.107897D+02 -0.618278D+01  0.385254D+01
               166           167           168           169           170 
      1   0.177433D+01 -0.100228D+01  0.881928D+00 -0.231877D+01  0.195617D+01
      2   0.728504D+00 -0.163633D+00 -0.180382D+01 -0.144202D+01 -0.692208D+00
      3  -0.317386D+01  0.201703D+01 -0.121205D+01  0.338798D+01 -0.120287D+01
               171           172           173           174           175 
      1  -0.253882D+01 -0.170745D+00  0.217970D+00  0.393141D+00  0.570221D+00
      2   0.205219D+01  0.698475D+00 -0.603507D+00 -0.995708D-01 -0.972647D+00
      3   0.292995D+01 -0.559169D+00 -0.308674D-01  0.707022D+00  0.276818D+01
               176           177           178           179           180 
      1   0.907979D+01 -0.427541D+01  0.559253D+00 -0.114999D+00  0.934847D+00
      2   0.126987D+01  0.237674D+01 -0.125872D+01  0.105073D+01 -0.183993D-01
      3  -0.158280D+02 -0.107770D+01  0.204551D-01  0.459652D+00 -0.169339D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.229588D+02  0.118895D+02 -0.119168D+01  0.209367D+02 -0.729228D+01
      2   0.852444D+01 -0.300550D+01 -0.378962D+01 -0.147624D+02  0.778422D+00
      3   0.144343D+02 -0.888404D+01  0.498130D+01 -0.617430D+01  0.651386D+01
      4   0.241044D+02 -0.128851D+02 -0.766494D+01 -0.156356D+02  0.150042D+01
      5   0.938081D+01 -0.526296D+01 -0.443711D+01 -0.869362D+01  0.529538D+01
      6  -0.415816D+01  0.734066D+01  0.282178D+01  0.871514D+00 -0.383980D+01
                 6             7             8             9            10 
      1  -0.809537D+01  0.138843D+02 -0.883703D+01 -0.276588D+01  0.521391D+00
      2   0.448651D+01 -0.651926D+01  0.147605D+01 -0.284967D+01 -0.330586D+01
      3   0.360886D+01 -0.736499D+01  0.736098D+01  0.561555D+01  0.278447D+01
      4   0.381101D+01 -0.121851D+02  0.115109D+02  0.946554D+01 -0.958852D+01
      5   0.824333D+01  0.187965D+01  0.495546D+01  0.126300D+02  0.991833D+01
      6  -0.740635D+01  0.355594D+01 -0.248288D+01  0.202347D+00  0.911682D+01
                11            12            13            14            15 
      1  -0.784541D+01  0.885053D+01 -0.718814D+01 -0.279421D+01  0.558901D+01
      2   0.459997D+01 -0.459237D+01  0.448577D+01  0.118340D+02 -0.338336D+01
      3   0.324543D+01 -0.425816D+01  0.270237D+01 -0.903975D+01 -0.220565D+01
      4  -0.899344D+01  0.788791D+01 -0.224230D+01 -0.125409D+01 -0.266332D+01
      5   0.556470D+01 -0.986030D+01  0.426033D+01 -0.184503D+01 -0.855170D+01
      6  -0.143775D+01 -0.712866D+01  0.132134D+01 -0.237721D+01 -0.550042D+01
                16            17            18            19            20 
      1   0.874766D+01  0.834738D+01  0.819605D-01 -0.560517D+01 -0.150298D+01
      2  -0.426338D+01 -0.451726D+01 -0.154349D+01  0.780500D+01  0.301061D+01
      3  -0.448428D+01 -0.383012D+01  0.146153D+01 -0.219983D+01 -0.150763D+01
      4   0.938406D+01 -0.620655D+01 -0.180258D+02 -0.494121D+01  0.738821D+00
      5  -0.115844D+02 -0.121482D+02 -0.655621D+01  0.176201D+01 -0.159224D+01
      6  -0.943866D+01 -0.132608D+02 -0.124974D+02 -0.744992D+01 -0.520499D-01
                21            22            23            24            25 
      1   0.213035D+01 -0.176654D+01  0.248124D+02  0.465390D+00  0.271963D+01
      2   0.569640D-01  0.470836D+01 -0.461180D+02  0.446902D+01  0.571316D+00
      3  -0.218732D+01 -0.294182D+01  0.213056D+02 -0.493441D+01 -0.329094D+01
      4  -0.423602D+01  0.483511D+01  0.991594D+01 -0.124286D+01 -0.440948D+01
      5  -0.103867D+01 -0.133800D+00 -0.684171D+00 -0.780830D+00  0.472405D+00
      6   0.484393D+01 -0.195242D+01  0.717815D+01  0.679566D+01  0.393190D+01
                26            27            28            29            30 
      1   0.763570D+00  0.427438D+01 -0.214507D+02  0.132042D+02 -0.935729D+01
      2  -0.504466D+00  0.117068D+02  0.430344D+01 -0.700262D+01  0.621430D+01
      3  -0.259105D+00 -0.159812D+02  0.171473D+02 -0.620160D+01  0.314299D+01
      4   0.109852D+01  0.265585D+01  0.194635D+02 -0.698306D+01  0.581932D+01
      5  -0.593277D+00 -0.468304D+01 -0.929186D+01  0.649226D+00  0.356642D+01
      6   0.717280D+01  0.157554D+02  0.356967D+01  0.591326D+00 -0.277007D+01
                31            32            33            34            35 
      1   0.969284D+01 -0.260568D+01  0.500135D+01 -0.111990D+02  0.607647D+01
      2  -0.546670D+01  0.860172D+01  0.155319D+01  0.580861D+01  0.316329D+01
      3  -0.422614D+01 -0.599604D+01 -0.655454D+01  0.539034D+01 -0.923976D+01
      4  -0.762965D+01 -0.755443D+01  0.957181D+00  0.885563D+01  0.309265D+01
      5  -0.968844D-01 -0.231201D+01  0.635227D+01  0.142716D+01  0.857492D+01
      6  -0.512375D+00 -0.184606D+01 -0.875279D+01  0.464262D+00 -0.917417D+01
                36            37            38            39            40 
      1   0.106256D+02  0.641337D+00 -0.774127D+01  0.127907D+02 -0.544541D+01
      2  -0.230143D+00  0.197167D+01  0.468419D+01 -0.915641D+01  0.407537D+01
      3  -0.103954D+02 -0.261301D+01  0.305708D+01 -0.363432D+01  0.137004D+01
      4   0.938125D+01 -0.592027D+01 -0.537534D+01  0.586576D+01 -0.709752D+01
      5   0.117989D+02  0.163551D+02  0.537747D+01 -0.139307D+02  0.264805D+01
      6  -0.190005D+02  0.865290D+01  0.240567D-01 -0.570114D+01  0.272903D+01
                41            42            43            44            45 
      1  -0.453789D+01 -0.740609D+00  0.107394D+02  0.195338D+01 -0.965071D+01
      2   0.616440D+01 -0.847086D+00 -0.834439D+01 -0.498892D+01  0.319380D+01
      3  -0.162651D+01  0.158769D+01 -0.239500D+01  0.303554D+01  0.645691D+01
      4   0.588223D+01  0.147326D+01  0.464923D+01 -0.231364D+01 -0.151263D+02
      5   0.386728D+01 -0.986159D+01 -0.149099D+02 -0.124373D+02  0.426796D+01
      6  -0.153642D+00 -0.632433D+01 -0.832451D+01 -0.541410D+01  0.191326D+01
                46            47            48            49            50 
      1   0.957400D+00 -0.470515D+01  0.249092D+01 -0.197796D+01  0.132196D+02
      2  -0.122021D+01  0.628291D+01  0.344686D+01  0.358970D+01 -0.244596D+02
      3   0.262808D+00 -0.157776D+01 -0.593778D+01 -0.161174D+01  0.112400D+02
      4  -0.625826D+01  0.153501D+01 -0.873189D+00  0.280793D+01  0.803808D+01
      5  -0.366814D+01 -0.965053D+00  0.312705D+01 -0.878406D+00 -0.237101D+01
      6  -0.558339D+01 -0.390828D+01  0.256207D+01 -0.245427D+01  0.913034D+01
                51            52            53            54            55 
      1   0.552716D+01 -0.292256D+01  0.465623D+01  0.154291D+02  0.598796D+02
      2   0.672974D+01  0.194806D+01  0.175472D+01  0.123543D+02 -0.275542D+02
      3  -0.122569D+02  0.974502D+00 -0.641095D+01 -0.277834D+02 -0.323254D+02
      4  -0.444710D+00 -0.535371D+00 -0.455562D+00 -0.514657D+00 -0.349422D+02
      5   0.431063D+00  0.373639D+01 -0.463052D+00 -0.692900D+01 -0.134939D+02
      6   0.448573D+01  0.280524D+00  0.485178D+01  0.269974D+01  0.547553D+01
                56            57            58            59            60 
      1  -0.164737D+02 -0.831496D+01 -0.194006D+02  0.847176D+01  0.217441D+01
      2   0.401450D+01  0.692147D+01  0.578339D+01  0.520230D+01 -0.273789D+00
      3   0.124592D+02  0.139349D+01  0.136172D+02 -0.136741D+02 -0.190062D+01
      4   0.268217D+02  0.755807D+01  0.304532D+02 -0.249600D+02 -0.819906D+01
      5   0.556866D+01  0.166966D+02  0.763678D+01 -0.687098D+01 -0.100449D+02
      6  -0.366929D+01 -0.638431D+01 -0.424662D+01  0.784522D+01  0.110851D+02
                61            62            63            64            65 
      1  -0.128609D+02  0.367040D+01  0.526283D+01  0.201341D+02  0.536483D+01
      2   0.956457D+01 -0.434578D+00 -0.838468D+01 -0.841568D+01  0.475347D+00
      3   0.329633D+01 -0.323582D+01  0.312185D+01 -0.117184D+02 -0.584017D+01
      4   0.124631D+02 -0.989938D+01 -0.127630D+02  0.223581D+02  0.150411D+02
      5   0.200289D+02 -0.112643D+02 -0.186937D+02 -0.131597D+02 -0.545466D+01
      6  -0.821346D+01  0.120140D+02  0.762567D+01 -0.736170D+01 -0.404749D+01
                66            67            68            69            70 
      1  -0.671073D+01  0.151508D+01  0.237913D+00  0.522505D+00 -0.827669D+01
      2   0.399724D+01  0.351831D+01  0.431156D+01 -0.256035D+01  0.506621D+01
      3   0.271349D+01 -0.503339D+01 -0.454947D+01  0.203784D+01  0.321048D+01
      4  -0.917443D+01  0.122156D+02  0.106722D+02 -0.520890D+01 -0.130143D+02
      5   0.107313D+02 -0.308720D+01 -0.446857D+01  0.371408D+01  0.124022D+02
      6   0.627336D+01 -0.365236D+01 -0.502381D+01  0.598804D+01  0.767586D+01
                71            72            73            74            75 
      1  -0.974196D+00  0.165094D+01  0.111353D+01  0.303068D+01  0.188676D+01
      2  -0.172451D+01 -0.349151D+01  0.167244D+00 -0.899575D+00 -0.172052D+01
      3   0.269870D+01  0.184057D+01 -0.128077D+01 -0.213110D+01 -0.166242D+00
      4  -0.887107D+01  0.105900D+02  0.703795D+01  0.739789D+01  0.504812D+01
      5   0.722710D+01 -0.115433D+02  0.503938D+01  0.267618D+01  0.712351D+01
      6   0.756440D+01 -0.784999D+01  0.404588D+01  0.273808D+01  0.365686D+01
                76            77            78            79            80 
      1   0.158218D+01 -0.607812D+01 -0.431431D+01  0.284954D+01 -0.684281D+01
      2   0.515062D+00  0.782384D+01  0.467136D+01 -0.237670D+01  0.643312D+01
      3  -0.209724D+01 -0.174571D+01 -0.357046D+00 -0.472841D+00  0.409689D+00
      4   0.671722D+01  0.899118D+01  0.715267D+01  0.805412D+01  0.130312D+02
      5   0.197419D+01  0.580884D+01  0.575042D+01  0.942568D+01  0.969840D+01
      6   0.332585D+01  0.967334D+01  0.109411D+02  0.715364D+01  0.147776D+02
                81            82            83            84            85 
      1  -0.691500D+01  0.154272D+01  0.485157D+00 -0.310803D+00  0.121150D+00
      2  -0.156226D+01 -0.469941D+01 -0.108404D+01 -0.109224D+01 -0.147540D+01
      3   0.847726D+01  0.315669D+01  0.598880D+00  0.140305D+01  0.135425D+01
      4   0.135378D+02 -0.763696D+00  0.179910D+01 -0.182001D+01 -0.352919D+00
      5   0.176203D+02  0.226338D+01  0.449392D+00  0.702144D+01  0.702870D+00
      6   0.211329D+02 -0.155819D+01  0.111343D+01 -0.273301D+01  0.666269D+00
                86            87            88            89            90 
      1  -0.292458D+01 -0.180555D-02 -0.127623D+01  0.312857D+01 -0.158829D+02
      2   0.247263D+01 -0.476466D+01 -0.239869D+01 -0.454739D+01 -0.137908D+02
      3   0.451945D+00  0.476646D+01  0.367492D+01  0.141882D+01  0.296737D+02
      4  -0.544445D+00  0.112934D+01 -0.365565D+01  0.179196D+01 -0.180436D+01
      5   0.109520D+01  0.919315D+00  0.538715D+01 -0.150138D-01  0.735536D+01
      6  -0.197208D+01  0.388205D+00 -0.298858D+01  0.577489D+01 -0.218238D+02
                91            92            93            94            95 
      1  -0.188731D+01  0.120816D+01 -0.329452D+00  0.239778D+01 -0.406408D+02
      2   0.635210D+01 -0.355604D+01  0.840244D-01 -0.482777D+01  0.725253D+02
      3  -0.446480D+01  0.234788D+01  0.245427D+00  0.242999D+01 -0.318845D+02
      4  -0.192960D+01  0.104038D+02 -0.418581D+00  0.928078D+01 -0.107556D+02
      5   0.652412D-01 -0.155279D+01  0.171389D+01 -0.136853D+01  0.208151D+01
      6  -0.700374D-01  0.459048D+00 -0.855524D+00  0.100647D+01 -0.128144D+02
                96            97            98            99           100 
      1   0.432743D+01 -0.258596D+00  0.426808D+00 -0.505149D+01  0.435381D+02
      2  -0.560301D+01 -0.348731D+00  0.898469D+00  0.488299D+01 -0.179814D+02
      3   0.127558D+01  0.607327D+00 -0.132528D+01  0.168491D+00 -0.255567D+02
      4   0.931723D+00  0.739917D+00 -0.140685D+00 -0.128140D+01 -0.302853D+02
      5  -0.809843D+00  0.104096D+01 -0.714311D+00  0.608450D+00  0.325309D+01
      6   0.878460D+01 -0.135441D+01  0.899482D+01 -0.265090D+01 -0.769849D+00
               101           102           103           104           105 
      1  -0.994689D+01  0.523185D+01 -0.617571D+01  0.489210D+01 -0.755682D+00
      2   0.502405D+00 -0.210406D+01 -0.146922D+01  0.161808D+01 -0.993222D+00
      3   0.944448D+01 -0.312779D+01  0.764493D+01 -0.651018D+01  0.174890D+01
      4   0.169782D+02 -0.338594D+01  0.152685D+02 -0.971278D+01  0.203068D+01
      5  -0.445521D+00  0.697574D+01 -0.420152D+00  0.152081D+01 -0.223345D+01
      6  -0.188867D+00 -0.284425D+01  0.116000D+00 -0.842937D+00  0.324531D+01
               106           107           108           109           110 
      1   0.907480D+01 -0.234421D+01  0.318700D+01  0.122378D+01 -0.371912D+01
      2  -0.383106D+01 -0.132486D+01 -0.232711D+01 -0.124549D+01  0.229325D+01
      3  -0.524374D+01  0.366907D+01 -0.859886D+00  0.217039D-01  0.142587D+01
      4  -0.800991D+01  0.458005D+01 -0.511953D+01 -0.302591D+01  0.271136D+01
      5   0.787843D+01 -0.355339D+01  0.316759D+01 -0.135790D+01  0.150087D+01
      6  -0.324276D+01  0.345326D+01 -0.625897D+00  0.248858D+01  0.629047D+00
               111           112           113           114           115 
      1  -0.237333D+01 -0.197674D+01 -0.680087D+01 -0.607640D+01 -0.172541D+01
      2   0.100548D+01  0.108919D+01  0.507942D+01  0.317852D+01  0.206426D+01
      3   0.136785D+01  0.887556D+00  0.172145D+01  0.289788D+01 -0.338850D+00
      4   0.204278D+01  0.435727D+01 -0.415842D+01 -0.559676D+01  0.424393D+01
      5   0.389059D+01  0.222526D+01 -0.451791D+01 -0.536000D+01  0.697970D+01
      6   0.199369D+01 -0.146171D+01  0.100796D+02  0.133645D+02 -0.321157D+01
               116           117           118           119           120 
      1  -0.779368D+01 -0.150704D+02 -0.217070D+02  0.802088D+01 -0.217701D+02
      2   0.250269D+01 -0.792426D+01  0.222801D+02 -0.417729D+01  0.639579D+01
      3   0.529099D+01  0.229946D+02 -0.573080D+00 -0.384359D+01  0.153743D+02
      4  -0.818679D+01 -0.976370D+01  0.117892D+01  0.515659D+01 -0.471393D+01
      5  -0.810720D+01 -0.192593D+02 -0.197466D+02  0.434273D+01 -0.352351D+01
      6   0.142246D+02  0.250985D+02 -0.245017D+01  0.308904D+00  0.528630D+01
               121           122           123           124           125 
      1   0.126668D+02  0.134099D+02  0.779630D+00 -0.196613D+02 -0.218610D+01
      2  -0.960803D+01 -0.312879D+02 -0.567273D+01  0.692509D+01 -0.996172D+00
      3  -0.305880D+01  0.178780D+02  0.489310D+01  0.127362D+02  0.318227D+01
      4   0.372979D+01 -0.212122D+02  0.155566D+01 -0.412184D+01  0.456422D+01
      5   0.710624D+01  0.125453D+01  0.681669D+01 -0.142609D+01  0.841405D+01
      6   0.137378D+00 -0.764239D+01  0.683004D+01  0.665709D+01  0.709898D+01
               126           127           128           129           130 
      1   0.301686D+01  0.194536D+02  0.534452D+01 -0.968083D+01  0.447068D+01
      2   0.402629D+01 -0.137568D+02 -0.304129D+01  0.925115D+01 -0.139413D+01
      3  -0.704315D+01 -0.569681D+01 -0.230323D+01  0.429685D+00 -0.307655D+01
      4   0.132560D+02  0.138584D+02  0.995395D+01 -0.739147D+01  0.109804D+02
      5   0.550797D+01 -0.205844D+02 -0.610918D+01  0.179112D+02 -0.606674D+01
      6   0.466572D+01 -0.737595D+01 -0.406814D+01  0.689710D+01 -0.495965D+01
               131           132           133           134           135 
      1   0.199165D+01 -0.786298D+00 -0.839420D+01 -0.947430D+00  0.396313D+01
      2   0.197207D+00  0.487332D+00  0.981452D+01  0.224526D+01 -0.114450D+02
      3  -0.218885D+01  0.298966D+00 -0.142032D+01 -0.129783D+01  0.748190D+01
      4   0.770771D+01 -0.639434D+01 -0.824569D+01 -0.603039D+01  0.908270D+01
      5  -0.717914D+01  0.713862D+01  0.190152D+02  0.796263D+01 -0.210258D+02
      6  -0.579750D+01  0.799861D+01  0.711081D+01  0.703708D+01 -0.100520D+02
               136           137           138           139           140 
      1  -0.230416D+00  0.169637D+01 -0.814869D+00  0.108558D+01 -0.249192D+02
      2   0.389972D+01 -0.379516D+01  0.372896D+00 -0.243949D+01  0.404888D+02
      3  -0.366930D+01  0.209879D+01  0.441973D+00  0.135391D+01 -0.155695D+02
      4  -0.215834D+01  0.881056D+01 -0.114914D+01  0.700612D+01 -0.699138D+01
      5   0.805339D+00 -0.298086D+01  0.205131D+01 -0.248409D+01  0.288325D+01
      6  -0.172600D+01  0.213266D+01 -0.104638D+01  0.252338D+01 -0.178696D+02
               141           142           143           144           145 
      1   0.517993D+01 -0.500155D+00  0.472016D+00 -0.472903D+01 -0.413252D+00
      2  -0.440077D+01 -0.364391D+00  0.179725D+01  0.214736D+01 -0.428677D+01
      3  -0.779159D+00  0.864546D+00 -0.226926D+01  0.258168D+01  0.470002D+01
      4   0.164447D+01  0.192668D+00 -0.820116D+00 -0.641182D+00  0.981799D+00
      5  -0.135801D+01  0.720052D+00 -0.447689D+00  0.785303D+00  0.266027D+01
      6   0.933127D+01 -0.737233D+00  0.652472D+01 -0.263494D+01 -0.371110D+00
               146           147           148           149           150 
      1   0.826547D+00 -0.177158D+01  0.134489D+01 -0.382959D+01 -0.428456D+01
      2  -0.408850D+00 -0.256436D+01 -0.806538D+00 -0.535894D-01 -0.559023D+01
      3  -0.417697D+00  0.433594D+01 -0.538350D+00  0.388318D+01  0.987479D+01
      4   0.113490D+01 -0.168204D+01 -0.369895D+00 -0.372327D-01  0.755940D+00
      5   0.474661D+00  0.815195D+01  0.162315D+01  0.919823D+00  0.199994D+01
      6   0.117783D+01 -0.176407D+01  0.766312D+00  0.277817D+00  0.364257D+01
               151           152           153           154           155 
      1   0.338600D+00  0.519212D+00 -0.259704D+02 -0.334381D+01 -0.367593D+00
      2  -0.236801D+01 -0.297676D+01 -0.208789D+02 -0.345126D+01 -0.144853D+01
      3   0.202941D+01  0.245755D+01  0.468493D+02  0.679506D+01  0.181612D+01
      4  -0.240474D+01  0.823258D+00 -0.123766D+01 -0.596444D+01 -0.225637D+01
      5   0.626752D+01  0.211180D+00  0.833796D+01 -0.258374D+01 -0.160151D+01
      6  -0.965335D+00  0.572243D+01 -0.116655D+02  0.155195D+01 -0.313503D+01
               156           157           158           159           160 
      1   0.105387D+02 -0.252643D+01 -0.393520D+01  0.922712D+00  0.950161D+01
      2   0.206209D+01  0.964849D+00  0.319342D+01  0.295797D+01  0.771881D+00
      3  -0.126008D+02  0.156158D+01  0.741784D+00 -0.388068D+01 -0.102735D+02
      4   0.317947D+01 -0.109612D+01  0.800852D+00  0.893822D+00  0.495761D+01
      5   0.316561D+00 -0.186195D+01 -0.306197D+00 -0.206575D+01  0.415633D+01
      6  -0.574072D+01 -0.132455D+01  0.794600D+00  0.113965D+01 -0.208637D+01
               161           162           163           164           165 
      1   0.364447D+00 -0.144351D+02  0.458679D+02 -0.417248D+01  0.130976D+02
      2   0.252452D+01 -0.854531D+01 -0.302695D+02  0.478690D+01 -0.122357D+02
      3  -0.288896D+01  0.229804D+02 -0.155984D+02 -0.614420D+00 -0.861898D+00
      4   0.234673D+01 -0.451764D+01  0.111170D+02  0.785382D+01  0.489178D+01
      5   0.135461D+00  0.379923D+01  0.276477D+02 -0.963181D+00  0.178262D+02
      6   0.367890D+01  0.767035D+01  0.283889D+01  0.398740D+01  0.312844D+01
               166           167           168           169           170 
      1  -0.102531D+02  0.359634D+01 -0.262949D+01  0.101362D+02 -0.191602D+00
      2   0.794626D+01 -0.335923D+00  0.387847D+01 -0.983153D+01  0.132617D+01
      3   0.230680D+01 -0.326042D+01 -0.124898D+01 -0.304640D+00 -0.113457D+01
      4   0.424553D+01 -0.347351D+00  0.141190D+01  0.354722D+01  0.146717D+01
      5  -0.616015D+01  0.301256D+01 -0.504632D+01  0.151202D+02 -0.162256D+01
      6   0.216895D+01 -0.497534D+00  0.527209D+00  0.198182D+01  0.158590D+01
               171           172           173           174           175 
      1   0.601384D+01  0.205343D+01  0.322879D+01  0.252933D+01  0.198423D+01
      2  -0.951713D+01  0.121765D+01 -0.114376D+01 -0.101355D+01  0.339862D+01
      3   0.350329D+01 -0.327108D+01 -0.208503D+01 -0.151578D+01 -0.538285D+01
      4   0.102213D+01  0.404655D+01  0.709747D+01  0.712549D+00  0.120244D+02
      5   0.111362D+02  0.242649D+01  0.820131D+00  0.152800D+01  0.307465D+01
      6   0.185221D+01  0.113428D+01  0.446413D-02 -0.495391D+00  0.262235D+01
               176           177           178           179           180 
      1  -0.222338D+02 -0.313571D+01  0.622751D+00 -0.592134D+00 -0.359568D+01
      2   0.478852D+02  0.233851D+01 -0.348971D+00 -0.243734D+01  0.361781D+01
      3  -0.256514D+02  0.797197D+00 -0.273780D+00  0.302948D+01 -0.221348D-01
      4   0.323881D+02  0.369319D+01 -0.505466D+00 -0.138248D+01  0.180391D+01
      5   0.281585D+01  0.474662D+01  0.148038D+01  0.255604D+01 -0.634031D+00
      6   0.161940D+02  0.927779D+01  0.119899D+00  0.679680D+01  0.680963D+00
 Leave Link  716 at Fri Jul 23 18:09:17 2021, MaxMem= 10737418240 cpu:               2.2 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.894979D+02 -0.163114D+01 -0.230911D+01
      2  -0.163114D+01  0.869409D+02  0.496067D+00
      3  -0.230911D+01  0.496067D+00  0.758414D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1  -0.709495D+00  0.384724D+01 -0.335541D+01
      2  -0.119701D+02  0.611157D-01 -0.162162D+02
      3   0.108941D+02  0.117325D+02  0.886113D+00
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1  -0.262935D+02 -0.192850D+02 -0.247812D+02
      2   0.153315D+02  0.204280D+02  0.147600D+01
      3   0.109620D+02 -0.114292D+01  0.233052D+02
      4  -0.345177D+01 -0.220315D+02 -0.135271D+01
      5  -0.222040D+02 -0.131132D+01 -0.335588D+02
      6   0.603486D+00 -0.307273D+01  0.774934D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    60 ND12= 1 LenFil=    2163:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.412698D+01  0.453910D+01  0.100982D+01  0.469584D+01 -0.164790D+01
      2   0.453910D+01 -0.474022D+00 -0.228221D+01 -0.164790D+01 -0.232671D+01
      3   0.100982D+01 -0.228221D+01  0.301983D+00 -0.208320D+01  0.158025D+01
                 6             7             8             9            10 
      1  -0.208320D+01  0.171529D+01 -0.262216D+01 -0.217921D+00  0.318166D+00
      2   0.158025D+01 -0.262216D+01  0.112140D+01  0.189804D+01 -0.387248D+01
      3   0.178395D+01 -0.217921D+00  0.189804D+01  0.118830D+01  0.254399D+01
                11            12            13            14            15 
      1  -0.387248D+01  0.254399D+01 -0.361943D+01  0.507763D+00  0.753542D+00
      2  -0.372073D+00  0.553157D+00  0.507763D+00  0.244851D+01 -0.142749D+01
      3   0.553157D+00 -0.262039D+01  0.753542D+00 -0.142749D+01 -0.240450D+01
                16            17            18            19            20 
      1   0.397118D+01  0.450170D+00 -0.305812D+01 -0.294965D+01  0.324627D+01
      2   0.450170D+00 -0.160072D+01 -0.342721D+01  0.324627D+01 -0.303247D+00
      3  -0.305812D+01 -0.342721D+01 -0.303472D+01 -0.179021D+01 -0.152509D+00
                21            22            23            24            25 
      1  -0.179021D+01  0.221247D+01  0.886742D+00 -0.156925D+00 -0.203676D+01
      2  -0.152509D+00  0.886742D+00 -0.752822D+01  0.481669D+00  0.253055D-01
      3   0.167804D+01 -0.156925D+00  0.481669D+00  0.192815D+01  0.172658D+01
                26            27            28            29            30 
      1   0.253055D-01  0.172658D+01  0.578652D+01 -0.346819D+01  0.283302D+01
      2  -0.546422D+00  0.196607D+01 -0.346819D+01  0.177000D+00 -0.936487D-01
      3   0.196607D+01  0.571997D+01  0.283302D+01 -0.936487D-01 -0.934991D+00
                31            32            33            34            35 
      1  -0.326768D+01 -0.214732D+00  0.770093D-01  0.385917D+01 -0.252237D+00
      2  -0.214732D+00  0.428386D+01 -0.297644D+00 -0.252237D+00 -0.760844D+00
      3   0.770093D-01 -0.297644D+00 -0.270987D+01 -0.565177D+00 -0.351551D+01
                36            37            38            39            40 
      1  -0.565177D+00 -0.392993D+01  0.289425D+01 -0.352218D+01  0.395183D+01
      2  -0.351551D+01  0.289425D+01  0.977682D+00  0.467939D-01  0.819203D+00
      3  -0.555454D+01 -0.352218D+01  0.467939D-01  0.264453D+01 -0.172376D+00
                41            42            43            44            45 
      1   0.819203D+00 -0.172376D+00 -0.461720D+01 -0.129772D+00  0.327049D+01
      2  -0.472538D+01 -0.351908D-01 -0.129772D+00  0.336438D+00  0.357654D+01
      3  -0.351908D-01  0.316801D+01  0.327049D+01  0.357654D+01  0.114663D+01
                46            47            48            49            50 
      1   0.448828D+01 -0.271361D+01  0.155043D+01 -0.188938D+01 -0.169931D+01
      2  -0.271361D+01 -0.170474D+01  0.612496D+00 -0.169931D+01  0.723982D+01
      3   0.155043D+01  0.612496D+00 -0.132230D+01  0.326968D+00 -0.255779D+00
                51            52            53            54            55 
      1   0.326968D+00  0.131330D+01  0.219241D+00 -0.589152D+00  0.113567D+02
      2  -0.255779D+00  0.219241D+00  0.689616D+00 -0.224970D+01 -0.476364D+01
      3  -0.271529D+01 -0.589152D+00 -0.224970D+01 -0.539330D+01 -0.271550D+01
                56            57            58            59            60 
      1  -0.476364D+01 -0.271550D+01 -0.513767D+01  0.441675D+01  0.155365D+01
      2   0.308434D+01  0.130818D+01  0.441675D+01 -0.447600D+01 -0.198030D+01
      3   0.130818D+01  0.170361D+01  0.155365D+01 -0.198030D+01 -0.176017D+01
                61            62            63            64            65 
      1  -0.382809D+01  0.206259D+01  0.336243D+01  0.557869D+01  0.241754D+01
      2   0.206259D+01 -0.191746D+01 -0.262006D+01  0.241754D+01  0.206238D+01
      3   0.336243D+01 -0.262006D+01 -0.340722D+01 -0.234561D+01 -0.973780D+00
                66            67            68            69            70 
      1  -0.234561D+01  0.176506D+01  0.164807D+01 -0.561640D+00 -0.342143D+01
      2  -0.973780D+00  0.164807D+01  0.153436D+01 -0.925232D+00 -0.130644D+01
      3   0.186490D+01 -0.561640D+00 -0.925232D+00  0.985870D+00  0.234485D+01
                71            72            73            74            75 
      1  -0.130644D+01  0.234485D+01  0.769503D+00  0.156423D+01  0.978663D+00
      2  -0.158039D+01  0.168246D+01  0.156423D+01  0.567220D+00  0.493498D+00
      3   0.168246D+01 -0.240708D+01  0.978663D+00  0.493498D+00  0.998154D+00
                76            77            78            79            80 
      1   0.144852D+01  0.665250D+00  0.521445D+00  0.171922D+01  0.814156D+00
      2   0.665250D+00  0.227942D+01  0.187260D+01  0.814156D+00  0.333039D+01
      3   0.521445D+00  0.187260D+01  0.195826D+01  0.191558D+01  0.271378D+01
                81            82            83            84            85 
      1   0.191558D+01 -0.308686D+00 -0.479320D+00 -0.863038D+00 -0.847136D+00
      2   0.271378D+01 -0.479320D+00 -0.189486D+00  0.837149D-01 -0.454435D+00
      3   0.546329D+01 -0.863038D+00  0.837149D-01 -0.834621D+00 -0.183813D+00
                86            87            88            89            90 
      1  -0.454435D+00 -0.183813D+00 -0.152671D+01 -0.989955D-01 -0.116606D+01
      2   0.135739D+00 -0.102298D+01 -0.989955D-01 -0.130652D+01  0.250794D+00
      3  -0.102298D+01 -0.109972D+01 -0.116606D+01  0.250794D+00 -0.767410D+01
                91            92            93            94            95 
      1  -0.127802D+00  0.120839D+01  0.182456D+00  0.150059D+01 -0.937288D+00
      2   0.120839D+01 -0.697944D+00  0.459693D-01 -0.937288D+00  0.118594D+02
      3   0.182456D+00  0.459693D-01 -0.330312D+00  0.893152D-01 -0.117193D+01
                96            97            98            99           100 
      1   0.893152D-01  0.428637D+00 -0.118252D-01 -0.364998D+00 -0.918102D+01
      2  -0.117193D+01 -0.118252D-01  0.934101D-01  0.110887D+01  0.279392D+01
      3   0.952913D+00 -0.364998D+00  0.110887D+01 -0.735761D+00 -0.114382D+01
               101           102           103           104           105 
      1   0.279392D+01 -0.114382D+01  0.206341D+01 -0.192184D+01  0.133909D+00
      2  -0.227156D+01  0.252392D+00 -0.192184D+01  0.109419D+01 -0.361655D+00
      3   0.252392D+00 -0.106708D+01  0.133909D+00 -0.361655D+00  0.653655D+00
               106           107           108           109           110 
      1  -0.238371D+01  0.690060D+00 -0.130216D+01 -0.402580D+00  0.927960D+00
      2   0.690060D+00 -0.914232D+00  0.955357D+00  0.927960D+00  0.295446D+00
      3  -0.130216D+01  0.955357D+00 -0.327934D+00  0.714892D+00  0.624033D-01
               111           112           113           114           115 
      1   0.714892D+00  0.913619D+00 -0.114073D+00 -0.340691D+00  0.111716D+01
      2   0.624033D-01 -0.114073D+00  0.157447D+01  0.194992D+01 -0.287047D+00
      3   0.437481D+00 -0.340691D+00  0.194992D+01  0.228076D+01 -0.832972D+00
               116           117           118           119           120 
      1  -0.287047D+00 -0.832972D+00  0.444602D+01 -0.206127D+01  0.371746D+01
      2   0.279437D+01  0.292577D+01 -0.206127D+01 -0.400482D+00 -0.439465D+00
      3   0.292577D+01  0.748934D+01  0.371746D+01 -0.439465D+00 -0.157193D+01
               121           122           123           124           125 
      1  -0.273074D+01  0.336313D+00 -0.804988D+00  0.330182D+01 -0.488460D+00
      2   0.336313D+00  0.718427D+01 -0.266009D+00 -0.488460D+00 -0.133487D+01
      3  -0.804988D+00 -0.266009D+00 -0.245015D+01 -0.229992D+01 -0.276753D+01
               126           127           128           129           130 
      1  -0.229992D+01 -0.488880D+01 -0.191082D+01  0.302697D+01 -0.197665D+01
      2  -0.276753D+01 -0.191082D+01 -0.163894D+01  0.756901D+00 -0.173439D+01
      3  -0.438378D+00  0.302697D+01  0.756901D+00 -0.288523D+01  0.799513D+00
               131           132           133           134           135 
      1  -0.173439D+01  0.799513D+00  0.343019D+01  0.922925D+00 -0.304819D+01
      2  -0.113786D+01  0.129410D+01  0.922925D+00  0.137288D+01 -0.173902D+01
      3   0.129410D+01 -0.165210D+01 -0.304819D+01 -0.173902D+01  0.405278D+01
               136           137           138           139           140 
      1   0.244310D+00 -0.111284D+01 -0.114395D+00 -0.148937D+01  0.961602D+00
      2  -0.111284D+01  0.113820D+01 -0.306992D+00  0.961602D+00 -0.926971D+01
      3  -0.114395D+00 -0.306992D+00  0.255481D+00 -0.347890D+00  0.144191D+01
               141           142           143           144           145 
      1  -0.347890D+00 -0.387835D+00 -0.235771D-01  0.224354D+00 -0.416997D+00
      2   0.144191D+01 -0.235771D-01 -0.218038D+00 -0.931226D+00  0.537311D+00
      3  -0.128198D+01  0.224354D+00 -0.931226D+00  0.832997D+00  0.109554D+01
               146           147           148           149           150 
      1   0.537311D+00  0.109554D+01  0.122201D+01  0.344840D+00  0.114004D-01
      2   0.214758D+00 -0.147550D+00  0.344840D+00 -0.125285D-01  0.112285D+01
      3  -0.147550D+00  0.106318D+01  0.114004D-01  0.112285D+01  0.177213D+01
               151           152           153           154           155 
      1   0.152810D+01  0.936348D-01  0.784026D+00  0.213402D+01  0.735722D+00
      2   0.936348D-01  0.125454D+01  0.320711D+00  0.735722D+00  0.107887D+01
      3   0.784026D+00  0.320711D+00  0.918310D+01 -0.152737D+01  0.138695D+00
               156           157           158           159           160 
      1  -0.152737D+01  0.826655D+00  0.528115D+00 -0.494251D-01 -0.188082D+01
      2   0.138695D+00  0.528115D+00 -0.298499D+00 -0.536336D+00 -0.277127D+00
      3   0.267745D+01 -0.494251D-01 -0.536336D+00  0.920162D+00  0.141540D+01
               161           162           163           164           165 
      1  -0.277127D+00  0.141540D+01 -0.806495D+01  0.367874D+00 -0.320193D+01
      2  -0.984611D+00  0.249812D+00  0.367874D+00 -0.144483D+01 -0.388665D-01
      3   0.249812D+00 -0.449823D+01 -0.320193D+01 -0.388665D-01 -0.227767D+01
               166           167           168           169           170 
      1   0.175987D+01 -0.995843D+00  0.763853D+00 -0.220893D+01  0.156174D+00
      2  -0.995843D+00  0.284697D-02 -0.359732D+00  0.156174D+00 -0.217359D+00
      3   0.763853D+00 -0.359732D+00  0.102666D+01 -0.172539D+01  0.330454D+00
               171           172           173           174           175 
      1  -0.172539D+01 -0.724862D+00 -0.850401D+00 -0.429177D+00 -0.140184D+01
      2   0.330454D+00 -0.850401D+00 -0.985641D-01  0.808254D-01 -0.139484D+01
      3  -0.165644D+01 -0.429177D+00  0.808254D-01  0.219707D+00 -0.329658D+00
               176           177           178           179           180 
      1  -0.139484D+01 -0.329658D+00 -0.926002D-01  0.633865D-01  0.126368D+00
      2  -0.986202D+01 -0.110302D+01  0.633865D-01  0.388418D+00 -0.728407D+00
      3  -0.110302D+01 -0.135675D+01  0.126368D+00 -0.728407D+00  0.512990D-01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.718771D+01  0.889130D+01 -0.258591D+01  0.849068D+01 -0.152841D+01
      2  -0.826131D+01 -0.899054D+01 -0.178065D+01 -0.796452D+01  0.161275D+01
      3  -0.433550D+01 -0.697683D+01  0.274780D+01  0.142310D+01 -0.177575D+01
                 6             7             8             9            10 
      1   0.673387D+01 -0.165855D+01  0.138831D+02 -0.392762D+01 -0.665813D+01
      2  -0.271768D-01 -0.114170D+02 -0.148440D+01  0.116191D+02  0.826928D+01
      3  -0.744364D+01  0.100335D+01 -0.103777D+02  0.197958D+01  0.122914D+02
                11            12            13            14            15 
      1  -0.193014D+00  0.287850D+01 -0.291040D+01  0.170480D+01 -0.152508D+01
      2   0.128145D+01 -0.248063D+01  0.241181D+01 -0.239734D+01 -0.241058D+01
      3  -0.783017D+01  0.287915D+01 -0.171665D+00 -0.411970D+01  0.441093D+01
                16            17            18            19            20 
      1   0.308385D+01  0.845653D+01  0.611089D+01  0.485887D+01 -0.157944D+01
      2  -0.802312D+01 -0.412059D+01 -0.523478D+01 -0.105641D+01  0.160867D+01
      3   0.416040D+01  0.297260D+01 -0.249224D+00 -0.760102D+01  0.863995D+01
                21            22            23            24            25 
      1  -0.247434D+01  0.126281D+01  0.243617D+01 -0.671666D+01 -0.291336D+01
      2   0.254881D+00 -0.423489D+00  0.348390D+01 -0.102106D+01 -0.529198D+01
      3  -0.517492D+01  0.944699D+01  0.140116D+01 -0.193604D+01 -0.525711D+01
                26            27            28            29            30 
      1  -0.108001D+01 -0.121217D+02 -0.534101D+01  0.450492D+00  0.106434D+01
      2  -0.205257D+00  0.375028D+00 -0.984695D+01  0.123459D+01  0.249229D+01
      3  -0.160759D+01  0.341144D+01  0.351689D+00 -0.838968D+01  0.370297D+01
                31            32            33            34            35 
      1   0.746845D+00  0.366150D+01  0.165672D+01  0.510137D+00  0.730832D+01
      2   0.137722D+01  0.703325D+00  0.454653D+01 -0.378698D+01  0.557611D+01
      3  -0.203371D+01  0.721500D+01  0.769417D-01  0.458759D+01 -0.123137D+01
                36            37            38            39            40 
      1   0.501143D+01 -0.558611D+00  0.359347D+00  0.966685D+00  0.869603D+00
      2   0.797466D+01  0.132308D+02 -0.975311D+00  0.153963D+01 -0.586388D+01
      3  -0.566268D+01  0.763002D+01 -0.491650D+01  0.231997D+01 -0.700417D+00
                41            42            43            44            45 
      1  -0.341782D+01 -0.133705D+01 -0.104455D+01  0.637049D+01  0.227786D+01
      2  -0.168498D+01 -0.312720D+01 -0.193783D+01 -0.402743D+01 -0.213464D+01
      3  -0.950309D+01  0.131131D+01  0.473775D+01  0.106118D+01  0.268156D+01
                46            47            48            49            50 
      1  -0.610828D+00 -0.347422D+01 -0.244645D+01 -0.332205D+01  0.808383D+01
      2  -0.823629D+01  0.443547D+01  0.720716D+00  0.561145D+01  0.150192D+01
      3  -0.358411D+01  0.393697D+01 -0.214427D+01  0.104003D+02 -0.264640D+01
                51            52            53            54            55 
      1  -0.792948D+01  0.474992D+00 -0.945517D+00 -0.798095D+01 -0.432083D+01
      2   0.177544D+01 -0.838604D+01  0.505586D+00 -0.266671D+01 -0.268213D+01
      3   0.123385D+01 -0.339154D+01  0.105851D+01  0.575603D+00  0.865018D+00
                56            57            58            59            60 
      1  -0.417493D+01  0.390232D+01 -0.140721D+01  0.277445D+00 -0.707028D+01
      2   0.400899D+01  0.979521D+01  0.394383D+01 -0.339588D+01 -0.396537D+01
      3  -0.886466D+01 -0.743561D+00  0.836940D+00  0.101984D+02  0.336476D+01
                61            62            63            64            65 
      1   0.127976D+01 -0.887663D+00 -0.792141D+00  0.308460D+01  0.109340D+01
      2   0.425396D+01 -0.125624D+01 -0.102339D+02 -0.216572D+01 -0.218458D+01
      3   0.933589D+00  0.818735D+01  0.908593D+00  0.501768D+01 -0.255201D+01
                66            67            68            69            70 
      1  -0.330906D+01  0.126996D+01  0.114910D+01 -0.259650D+01 -0.347183D+01
      2   0.480229D+01 -0.704277D+00 -0.110674D+01  0.193976D+01  0.210937D+01
      3  -0.154673D+01  0.175364D+01  0.363591D+00  0.121299D+00 -0.347787D+01
                71            72            73            74            75 
      1  -0.487558D+00  0.360090D+01 -0.135465D+01 -0.847216D+00 -0.187481D+01
      2   0.229826D+01 -0.453937D+01  0.111676D+01  0.786270D+00  0.282137D+01
      3   0.144416D+01  0.585671D+00 -0.119170D+01  0.931612D+00  0.729103D+00
                76            77            78            79            80 
      1  -0.606459D+00 -0.137223D+01 -0.372335D+01 -0.281133D+01 -0.357374D+01
      2   0.373077D+00  0.194873D+01  0.286558D+01  0.963114D+00  0.509704D+01
      3   0.267767D+01 -0.220435D+01 -0.176118D+01  0.240806D+01 -0.253841D+01
                81            82            83            84            85 
      1  -0.910871D+01  0.184822D+01  0.869533D+00  0.193056D+01  0.121939D+01
      2   0.893390D+01 -0.840903D-01 -0.501083D+00  0.643491D+00 -0.151425D+01
      3  -0.316993D+00 -0.644985D+00 -0.303337D+01 -0.153853D+01 -0.167153D+01
                86            87            88            89            90 
      1   0.306737D+01  0.292834D+01  0.252797D+01  0.418460D+01  0.153030D+02
      2  -0.639987D+00 -0.135833D-01 -0.358677D+01 -0.476668D+00  0.790335D+00
      3  -0.319029D+00 -0.276164D+00 -0.289457D+01 -0.815218D+00 -0.181596D+01
                91            92            93            94            95 
      1  -0.970516D+00  0.317396D+00  0.468136D+00 -0.299144D+00 -0.212639D+01
      2  -0.600838D-02  0.378344D+00  0.109340D+01  0.180004D+01 -0.145313D+01
      3   0.672168D-01  0.872143D+00  0.884679D+00  0.697671D+01  0.136571D+00
                96            97            98            99           100 
      1  -0.423327D+01  0.344168D+00 -0.960936D+00  0.144985D+01  0.307515D+01
      2  -0.302014D+00 -0.234025D+00 -0.579385D+00 -0.195473D+00  0.596510D+01
      3  -0.309319D+00  0.160361D+01 -0.432491D+00 -0.538252D+00 -0.764866D+01
               101           102           103           104           105 
      1  -0.109670D+01  0.225201D+01 -0.113162D+01  0.908947D+00 -0.194476D+01
      2  -0.193231D+01  0.509262D+01 -0.983785D+00  0.139775D+01 -0.180058D+01
      3  -0.396407D+01 -0.900824D+00  0.954812D+00 -0.295944D+00 -0.579701D+00
               106           107           108           109           110 
      1   0.197018D+01 -0.424680D+00  0.112618D+01  0.524602D-01  0.653957D+00
      2   0.230289D+01 -0.211453D+01  0.174196D+01 -0.787127D+00 -0.629142D+00
      3  -0.257741D+01 -0.183042D+01  0.158909D+00  0.130936D+01  0.101772D+01
               111           112           113           114           115 
      1  -0.828824D+00  0.327504D+00 -0.580520D+00 -0.287601D+01  0.752788D+00
      2  -0.807383D-01 -0.708301D+00 -0.290120D+01 -0.315583D+01 -0.234119D+01
      3   0.685724D+00  0.280163D+01  0.186323D+01  0.243471D+01  0.188405D+01
               116           117           118           119           120 
      1   0.144402D+01 -0.779012D+01  0.870513D+01 -0.162754D+00 -0.265360D+01
      2  -0.401064D+01 -0.109773D+02 -0.298436D+01 -0.783005D+00  0.116103D+02
      3   0.413967D+01  0.312071D+01 -0.104908D+02  0.305270D+00 -0.682802D+01
               121           122           123           124           125 
      1  -0.286502D+01 -0.102530D+02 -0.688526D+01 -0.284652D+01 -0.161237D+01
      2  -0.705708D+00  0.102825D+01  0.395342D+01  0.684005D+01  0.493528D+01
      3   0.662262D+01  0.130569D+02  0.338254D+00 -0.586811D+01 -0.155228D+01
               126           127           128           129           130 
      1   0.326993D+01  0.336025D-01 -0.189570D+01 -0.127927D+01 -0.127982D+01
      2  -0.176595D+01  0.376856D+00  0.270333D+00  0.319725D+01  0.137603D+01
      3  -0.192873D+01  0.903207D+00 -0.335249D+01 -0.126763D+01  0.448669D+00
               131           132           133           134           135 
      1  -0.660069D+00 -0.135675D+01  0.363085D-01  0.173857D+01  0.950503D+00
      2  -0.353572D+00  0.248545D+01 -0.159706D+01  0.181536D+01 -0.364919D+01
      3  -0.100710D+01  0.149297D+01 -0.276551D+01  0.253764D+01 -0.356868D+00
               136           137           138           139           140 
      1  -0.808774D+00  0.627868D+00  0.156816D+00  0.318304D+00 -0.943705D+01
      2  -0.724583D+00  0.921577D+00  0.129286D+01  0.201937D+01 -0.787720D+00
      3  -0.109899D+01 -0.671532D+00  0.687202D+00  0.514313D+01  0.195480D+01
               141           142           143           144           145 
      1  -0.272889D+01  0.527747D+00 -0.238737D+00 -0.327538D+00  0.128395D+01
      2  -0.319972D+00 -0.472782D+00 -0.205017D+00 -0.141908D+00  0.111473D+01
      3   0.243968D+00  0.706099D+00  0.656858D+00  0.186500D+00  0.896939D+00
               146           147           148           149           150 
      1   0.264732D+00  0.220413D+01 -0.404804D+00  0.133666D+01  0.359123D+01
      2  -0.553340D+00 -0.925521D+00 -0.179412D+01 -0.645179D-01 -0.271041D+00
      3  -0.171449D+01 -0.162990D+01 -0.166306D+00 -0.273236D+00 -0.879226D+00
               151           152           153           154           155 
      1   0.720449D+00  0.435382D+01  0.115673D+02 -0.403714D+01 -0.289262D+01
      2  -0.354379D+01  0.292397D+00  0.134262D+00  0.784001D+01  0.147979D+01
      3  -0.140114D+01 -0.495284D+00 -0.202630D+01 -0.215149D+01 -0.701323D+00
               156           157           158           159           160 
      1   0.406293D+01 -0.146870D+01 -0.157565D+01  0.148355D+01  0.346156D+01
      2  -0.575249D+01  0.199364D+01  0.200220D+01 -0.172469D+01 -0.790267D+01
      3   0.233092D+01  0.415637D+00 -0.105017D+01 -0.709170D+00  0.220033D+01
               161           162           163           164           165 
      1   0.410766D+01 -0.676771D+01 -0.529847D+01  0.257059D+01 -0.282731D+01
      2  -0.158229D+01  0.909144D+01 -0.293147D+01  0.995146D+00  0.368637D+01
      3  -0.433949D+00 -0.195010D+01  0.107897D+02 -0.618278D+01  0.385254D+01
               166           167           168           169           170 
      1   0.177433D+01 -0.100228D+01  0.881928D+00 -0.231877D+01  0.195617D+01
      2   0.728504D+00 -0.163633D+00 -0.180382D+01 -0.144202D+01 -0.692208D+00
      3  -0.317386D+01  0.201703D+01 -0.121205D+01  0.338798D+01 -0.120287D+01
               171           172           173           174           175 
      1  -0.253882D+01 -0.170745D+00  0.217970D+00  0.393141D+00  0.570221D+00
      2   0.205219D+01  0.698475D+00 -0.603507D+00 -0.995708D-01 -0.972647D+00
      3   0.292995D+01 -0.559169D+00 -0.308674D-01  0.707022D+00  0.276818D+01
               176           177           178           179           180 
      1   0.907979D+01 -0.427541D+01  0.559253D+00 -0.114999D+00  0.934847D+00
      2   0.126987D+01  0.237674D+01 -0.125872D+01  0.105073D+01 -0.183993D-01
      3  -0.158280D+02 -0.107770D+01  0.204551D-01  0.459652D+00 -0.169339D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.229588D+02  0.118895D+02 -0.119168D+01  0.209367D+02 -0.729228D+01
      2   0.852444D+01 -0.300550D+01 -0.378962D+01 -0.147624D+02  0.778422D+00
      3   0.144343D+02 -0.888404D+01  0.498130D+01 -0.617430D+01  0.651386D+01
      4   0.241044D+02 -0.128851D+02 -0.766494D+01 -0.156356D+02  0.150042D+01
      5   0.938081D+01 -0.526296D+01 -0.443711D+01 -0.869362D+01  0.529538D+01
      6  -0.415816D+01  0.734066D+01  0.282178D+01  0.871514D+00 -0.383980D+01
                 6             7             8             9            10 
      1  -0.809537D+01  0.138843D+02 -0.883703D+01 -0.276588D+01  0.521391D+00
      2   0.448651D+01 -0.651926D+01  0.147605D+01 -0.284967D+01 -0.330586D+01
      3   0.360886D+01 -0.736499D+01  0.736098D+01  0.561555D+01  0.278447D+01
      4   0.381101D+01 -0.121851D+02  0.115109D+02  0.946554D+01 -0.958852D+01
      5   0.824333D+01  0.187965D+01  0.495546D+01  0.126300D+02  0.991833D+01
      6  -0.740635D+01  0.355594D+01 -0.248288D+01  0.202347D+00  0.911682D+01
                11            12            13            14            15 
      1  -0.784541D+01  0.885053D+01 -0.718814D+01 -0.279421D+01  0.558901D+01
      2   0.459997D+01 -0.459237D+01  0.448577D+01  0.118340D+02 -0.338336D+01
      3   0.324543D+01 -0.425816D+01  0.270237D+01 -0.903975D+01 -0.220565D+01
      4  -0.899344D+01  0.788791D+01 -0.224230D+01 -0.125409D+01 -0.266332D+01
      5   0.556470D+01 -0.986030D+01  0.426033D+01 -0.184503D+01 -0.855170D+01
      6  -0.143775D+01 -0.712866D+01  0.132134D+01 -0.237721D+01 -0.550042D+01
                16            17            18            19            20 
      1   0.874766D+01  0.834738D+01  0.819605D-01 -0.560517D+01 -0.150298D+01
      2  -0.426338D+01 -0.451726D+01 -0.154349D+01  0.780500D+01  0.301061D+01
      3  -0.448428D+01 -0.383012D+01  0.146153D+01 -0.219983D+01 -0.150763D+01
      4   0.938406D+01 -0.620655D+01 -0.180258D+02 -0.494121D+01  0.738821D+00
      5  -0.115844D+02 -0.121482D+02 -0.655621D+01  0.176201D+01 -0.159224D+01
      6  -0.943866D+01 -0.132608D+02 -0.124974D+02 -0.744992D+01 -0.520499D-01
                21            22            23            24            25 
      1   0.213035D+01 -0.176654D+01  0.248124D+02  0.465390D+00  0.271963D+01
      2   0.569640D-01  0.470836D+01 -0.461180D+02  0.446902D+01  0.571316D+00
      3  -0.218732D+01 -0.294182D+01  0.213056D+02 -0.493441D+01 -0.329094D+01
      4  -0.423602D+01  0.483511D+01  0.991594D+01 -0.124286D+01 -0.440948D+01
      5  -0.103867D+01 -0.133800D+00 -0.684171D+00 -0.780830D+00  0.472405D+00
      6   0.484393D+01 -0.195242D+01  0.717815D+01  0.679566D+01  0.393190D+01
                26            27            28            29            30 
      1   0.763570D+00  0.427438D+01 -0.214507D+02  0.132042D+02 -0.935729D+01
      2  -0.504466D+00  0.117068D+02  0.430344D+01 -0.700262D+01  0.621430D+01
      3  -0.259105D+00 -0.159812D+02  0.171473D+02 -0.620160D+01  0.314299D+01
      4   0.109852D+01  0.265585D+01  0.194635D+02 -0.698306D+01  0.581932D+01
      5  -0.593277D+00 -0.468304D+01 -0.929186D+01  0.649226D+00  0.356642D+01
      6   0.717280D+01  0.157554D+02  0.356967D+01  0.591326D+00 -0.277007D+01
                31            32            33            34            35 
      1   0.969284D+01 -0.260568D+01  0.500135D+01 -0.111990D+02  0.607647D+01
      2  -0.546670D+01  0.860172D+01  0.155319D+01  0.580861D+01  0.316329D+01
      3  -0.422614D+01 -0.599604D+01 -0.655454D+01  0.539034D+01 -0.923976D+01
      4  -0.762965D+01 -0.755443D+01  0.957181D+00  0.885563D+01  0.309265D+01
      5  -0.968844D-01 -0.231201D+01  0.635227D+01  0.142716D+01  0.857492D+01
      6  -0.512375D+00 -0.184606D+01 -0.875279D+01  0.464262D+00 -0.917417D+01
                36            37            38            39            40 
      1   0.106256D+02  0.641337D+00 -0.774127D+01  0.127907D+02 -0.544541D+01
      2  -0.230143D+00  0.197167D+01  0.468419D+01 -0.915641D+01  0.407537D+01
      3  -0.103954D+02 -0.261301D+01  0.305708D+01 -0.363432D+01  0.137004D+01
      4   0.938125D+01 -0.592027D+01 -0.537534D+01  0.586576D+01 -0.709752D+01
      5   0.117989D+02  0.163551D+02  0.537747D+01 -0.139307D+02  0.264805D+01
      6  -0.190005D+02  0.865290D+01  0.240567D-01 -0.570114D+01  0.272903D+01
                41            42            43            44            45 
      1  -0.453789D+01 -0.740609D+00  0.107394D+02  0.195338D+01 -0.965071D+01
      2   0.616440D+01 -0.847086D+00 -0.834439D+01 -0.498892D+01  0.319380D+01
      3  -0.162651D+01  0.158769D+01 -0.239500D+01  0.303554D+01  0.645691D+01
      4   0.588223D+01  0.147326D+01  0.464923D+01 -0.231364D+01 -0.151263D+02
      5   0.386728D+01 -0.986159D+01 -0.149099D+02 -0.124373D+02  0.426796D+01
      6  -0.153642D+00 -0.632433D+01 -0.832451D+01 -0.541410D+01  0.191326D+01
                46            47            48            49            50 
      1   0.957400D+00 -0.470515D+01  0.249092D+01 -0.197796D+01  0.132196D+02
      2  -0.122021D+01  0.628291D+01  0.344686D+01  0.358970D+01 -0.244596D+02
      3   0.262808D+00 -0.157776D+01 -0.593778D+01 -0.161174D+01  0.112400D+02
      4  -0.625826D+01  0.153501D+01 -0.873189D+00  0.280793D+01  0.803808D+01
      5  -0.366814D+01 -0.965053D+00  0.312705D+01 -0.878406D+00 -0.237101D+01
      6  -0.558339D+01 -0.390828D+01  0.256207D+01 -0.245427D+01  0.913034D+01
                51            52            53            54            55 
      1   0.552716D+01 -0.292256D+01  0.465623D+01  0.154291D+02  0.598796D+02
      2   0.672974D+01  0.194806D+01  0.175472D+01  0.123543D+02 -0.275542D+02
      3  -0.122569D+02  0.974502D+00 -0.641095D+01 -0.277834D+02 -0.323254D+02
      4  -0.444710D+00 -0.535371D+00 -0.455562D+00 -0.514657D+00 -0.349422D+02
      5   0.431063D+00  0.373639D+01 -0.463052D+00 -0.692900D+01 -0.134939D+02
      6   0.448573D+01  0.280524D+00  0.485178D+01  0.269974D+01  0.547553D+01
                56            57            58            59            60 
      1  -0.164737D+02 -0.831496D+01 -0.194006D+02  0.847176D+01  0.217441D+01
      2   0.401450D+01  0.692147D+01  0.578339D+01  0.520230D+01 -0.273789D+00
      3   0.124592D+02  0.139349D+01  0.136172D+02 -0.136741D+02 -0.190062D+01
      4   0.268217D+02  0.755807D+01  0.304532D+02 -0.249600D+02 -0.819906D+01
      5   0.556866D+01  0.166966D+02  0.763678D+01 -0.687098D+01 -0.100449D+02
      6  -0.366929D+01 -0.638431D+01 -0.424662D+01  0.784522D+01  0.110851D+02
                61            62            63            64            65 
      1  -0.128609D+02  0.367040D+01  0.526283D+01  0.201341D+02  0.536483D+01
      2   0.956457D+01 -0.434578D+00 -0.838468D+01 -0.841568D+01  0.475347D+00
      3   0.329633D+01 -0.323582D+01  0.312185D+01 -0.117184D+02 -0.584017D+01
      4   0.124631D+02 -0.989938D+01 -0.127630D+02  0.223581D+02  0.150411D+02
      5   0.200289D+02 -0.112643D+02 -0.186937D+02 -0.131597D+02 -0.545466D+01
      6  -0.821346D+01  0.120140D+02  0.762567D+01 -0.736170D+01 -0.404749D+01
                66            67            68            69            70 
      1  -0.671073D+01  0.151508D+01  0.237913D+00  0.522505D+00 -0.827669D+01
      2   0.399724D+01  0.351831D+01  0.431156D+01 -0.256035D+01  0.506621D+01
      3   0.271349D+01 -0.503339D+01 -0.454947D+01  0.203784D+01  0.321048D+01
      4  -0.917443D+01  0.122156D+02  0.106722D+02 -0.520890D+01 -0.130143D+02
      5   0.107313D+02 -0.308720D+01 -0.446857D+01  0.371408D+01  0.124022D+02
      6   0.627336D+01 -0.365236D+01 -0.502381D+01  0.598804D+01  0.767586D+01
                71            72            73            74            75 
      1  -0.974196D+00  0.165094D+01  0.111353D+01  0.303068D+01  0.188676D+01
      2  -0.172451D+01 -0.349151D+01  0.167244D+00 -0.899575D+00 -0.172052D+01
      3   0.269870D+01  0.184057D+01 -0.128077D+01 -0.213110D+01 -0.166242D+00
      4  -0.887107D+01  0.105900D+02  0.703795D+01  0.739789D+01  0.504812D+01
      5   0.722710D+01 -0.115433D+02  0.503938D+01  0.267618D+01  0.712351D+01
      6   0.756440D+01 -0.784999D+01  0.404588D+01  0.273808D+01  0.365686D+01
                76            77            78            79            80 
      1   0.158218D+01 -0.607812D+01 -0.431431D+01  0.284954D+01 -0.684281D+01
      2   0.515062D+00  0.782384D+01  0.467136D+01 -0.237670D+01  0.643312D+01
      3  -0.209724D+01 -0.174571D+01 -0.357046D+00 -0.472841D+00  0.409689D+00
      4   0.671722D+01  0.899118D+01  0.715267D+01  0.805412D+01  0.130312D+02
      5   0.197419D+01  0.580884D+01  0.575042D+01  0.942568D+01  0.969840D+01
      6   0.332585D+01  0.967334D+01  0.109411D+02  0.715364D+01  0.147776D+02
                81            82            83            84            85 
      1  -0.691500D+01  0.154272D+01  0.485157D+00 -0.310803D+00  0.121150D+00
      2  -0.156226D+01 -0.469941D+01 -0.108404D+01 -0.109224D+01 -0.147540D+01
      3   0.847726D+01  0.315669D+01  0.598880D+00  0.140305D+01  0.135425D+01
      4   0.135378D+02 -0.763696D+00  0.179910D+01 -0.182001D+01 -0.352919D+00
      5   0.176203D+02  0.226338D+01  0.449392D+00  0.702144D+01  0.702870D+00
      6   0.211329D+02 -0.155819D+01  0.111343D+01 -0.273301D+01  0.666269D+00
                86            87            88            89            90 
      1  -0.292458D+01 -0.180555D-02 -0.127623D+01  0.312857D+01 -0.158829D+02
      2   0.247263D+01 -0.476466D+01 -0.239869D+01 -0.454739D+01 -0.137908D+02
      3   0.451945D+00  0.476646D+01  0.367492D+01  0.141882D+01  0.296737D+02
      4  -0.544445D+00  0.112934D+01 -0.365565D+01  0.179196D+01 -0.180436D+01
      5   0.109520D+01  0.919315D+00  0.538715D+01 -0.150138D-01  0.735536D+01
      6  -0.197208D+01  0.388205D+00 -0.298858D+01  0.577489D+01 -0.218238D+02
                91            92            93            94            95 
      1  -0.188731D+01  0.120816D+01 -0.329452D+00  0.239778D+01 -0.406408D+02
      2   0.635210D+01 -0.355604D+01  0.840244D-01 -0.482777D+01  0.725253D+02
      3  -0.446480D+01  0.234788D+01  0.245427D+00  0.242999D+01 -0.318845D+02
      4  -0.192960D+01  0.104038D+02 -0.418581D+00  0.928078D+01 -0.107556D+02
      5   0.652412D-01 -0.155279D+01  0.171389D+01 -0.136853D+01  0.208151D+01
      6  -0.700374D-01  0.459048D+00 -0.855524D+00  0.100647D+01 -0.128144D+02
                96            97            98            99           100 
      1   0.432743D+01 -0.258596D+00  0.426808D+00 -0.505149D+01  0.435381D+02
      2  -0.560301D+01 -0.348731D+00  0.898469D+00  0.488299D+01 -0.179814D+02
      3   0.127558D+01  0.607327D+00 -0.132528D+01  0.168491D+00 -0.255567D+02
      4   0.931723D+00  0.739917D+00 -0.140685D+00 -0.128140D+01 -0.302853D+02
      5  -0.809843D+00  0.104096D+01 -0.714311D+00  0.608450D+00  0.325309D+01
      6   0.878460D+01 -0.135441D+01  0.899482D+01 -0.265090D+01 -0.769849D+00
               101           102           103           104           105 
      1  -0.994689D+01  0.523185D+01 -0.617571D+01  0.489210D+01 -0.755682D+00
      2   0.502405D+00 -0.210406D+01 -0.146922D+01  0.161808D+01 -0.993222D+00
      3   0.944448D+01 -0.312779D+01  0.764493D+01 -0.651018D+01  0.174890D+01
      4   0.169782D+02 -0.338594D+01  0.152685D+02 -0.971278D+01  0.203068D+01
      5  -0.445521D+00  0.697574D+01 -0.420152D+00  0.152081D+01 -0.223345D+01
      6  -0.188867D+00 -0.284425D+01  0.116000D+00 -0.842937D+00  0.324531D+01
               106           107           108           109           110 
      1   0.907480D+01 -0.234421D+01  0.318700D+01  0.122378D+01 -0.371912D+01
      2  -0.383106D+01 -0.132486D+01 -0.232711D+01 -0.124549D+01  0.229325D+01
      3  -0.524374D+01  0.366907D+01 -0.859886D+00  0.217039D-01  0.142587D+01
      4  -0.800991D+01  0.458005D+01 -0.511953D+01 -0.302591D+01  0.271136D+01
      5   0.787843D+01 -0.355339D+01  0.316759D+01 -0.135790D+01  0.150087D+01
      6  -0.324276D+01  0.345326D+01 -0.625897D+00  0.248858D+01  0.629047D+00
               111           112           113           114           115 
      1  -0.237333D+01 -0.197674D+01 -0.680087D+01 -0.607640D+01 -0.172541D+01
      2   0.100548D+01  0.108919D+01  0.507942D+01  0.317852D+01  0.206426D+01
      3   0.136785D+01  0.887556D+00  0.172145D+01  0.289788D+01 -0.338850D+00
      4   0.204278D+01  0.435727D+01 -0.415842D+01 -0.559676D+01  0.424393D+01
      5   0.389059D+01  0.222526D+01 -0.451791D+01 -0.536000D+01  0.697970D+01
      6   0.199369D+01 -0.146171D+01  0.100796D+02  0.133645D+02 -0.321157D+01
               116           117           118           119           120 
      1  -0.779368D+01 -0.150704D+02 -0.217070D+02  0.802088D+01 -0.217701D+02
      2   0.250269D+01 -0.792426D+01  0.222801D+02 -0.417729D+01  0.639579D+01
      3   0.529099D+01  0.229946D+02 -0.573080D+00 -0.384359D+01  0.153743D+02
      4  -0.818679D+01 -0.976370D+01  0.117892D+01  0.515659D+01 -0.471393D+01
      5  -0.810720D+01 -0.192593D+02 -0.197466D+02  0.434273D+01 -0.352351D+01
      6   0.142246D+02  0.250985D+02 -0.245017D+01  0.308904D+00  0.528630D+01
               121           122           123           124           125 
      1   0.126668D+02  0.134099D+02  0.779630D+00 -0.196613D+02 -0.218610D+01
      2  -0.960803D+01 -0.312879D+02 -0.567273D+01  0.692509D+01 -0.996172D+00
      3  -0.305880D+01  0.178780D+02  0.489310D+01  0.127362D+02  0.318227D+01
      4   0.372979D+01 -0.212122D+02  0.155566D+01 -0.412184D+01  0.456422D+01
      5   0.710624D+01  0.125453D+01  0.681669D+01 -0.142609D+01  0.841405D+01
      6   0.137378D+00 -0.764239D+01  0.683004D+01  0.665709D+01  0.709898D+01
               126           127           128           129           130 
      1   0.301686D+01  0.194536D+02  0.534452D+01 -0.968083D+01  0.447068D+01
      2   0.402629D+01 -0.137568D+02 -0.304129D+01  0.925115D+01 -0.139413D+01
      3  -0.704315D+01 -0.569681D+01 -0.230323D+01  0.429685D+00 -0.307655D+01
      4   0.132560D+02  0.138584D+02  0.995395D+01 -0.739147D+01  0.109804D+02
      5   0.550797D+01 -0.205844D+02 -0.610918D+01  0.179112D+02 -0.606674D+01
      6   0.466572D+01 -0.737595D+01 -0.406814D+01  0.689710D+01 -0.495965D+01
               131           132           133           134           135 
      1   0.199165D+01 -0.786298D+00 -0.839420D+01 -0.947430D+00  0.396313D+01
      2   0.197207D+00  0.487332D+00  0.981452D+01  0.224526D+01 -0.114450D+02
      3  -0.218885D+01  0.298966D+00 -0.142032D+01 -0.129783D+01  0.748190D+01
      4   0.770771D+01 -0.639434D+01 -0.824569D+01 -0.603039D+01  0.908270D+01
      5  -0.717914D+01  0.713862D+01  0.190152D+02  0.796263D+01 -0.210258D+02
      6  -0.579750D+01  0.799861D+01  0.711081D+01  0.703708D+01 -0.100520D+02
               136           137           138           139           140 
      1  -0.230416D+00  0.169637D+01 -0.814869D+00  0.108558D+01 -0.249192D+02
      2   0.389972D+01 -0.379516D+01  0.372896D+00 -0.243949D+01  0.404888D+02
      3  -0.366930D+01  0.209879D+01  0.441973D+00  0.135391D+01 -0.155695D+02
      4  -0.215834D+01  0.881056D+01 -0.114914D+01  0.700612D+01 -0.699138D+01
      5   0.805339D+00 -0.298086D+01  0.205131D+01 -0.248409D+01  0.288325D+01
      6  -0.172600D+01  0.213266D+01 -0.104638D+01  0.252338D+01 -0.178696D+02
               141           142           143           144           145 
      1   0.517993D+01 -0.500155D+00  0.472016D+00 -0.472903D+01 -0.413252D+00
      2  -0.440077D+01 -0.364391D+00  0.179725D+01  0.214736D+01 -0.428677D+01
      3  -0.779159D+00  0.864546D+00 -0.226926D+01  0.258168D+01  0.470002D+01
      4   0.164447D+01  0.192668D+00 -0.820116D+00 -0.641182D+00  0.981799D+00
      5  -0.135801D+01  0.720052D+00 -0.447689D+00  0.785303D+00  0.266027D+01
      6   0.933127D+01 -0.737233D+00  0.652472D+01 -0.263494D+01 -0.371110D+00
               146           147           148           149           150 
      1   0.826547D+00 -0.177158D+01  0.134489D+01 -0.382959D+01 -0.428456D+01
      2  -0.408850D+00 -0.256436D+01 -0.806538D+00 -0.535894D-01 -0.559023D+01
      3  -0.417697D+00  0.433594D+01 -0.538350D+00  0.388318D+01  0.987479D+01
      4   0.113490D+01 -0.168204D+01 -0.369895D+00 -0.372327D-01  0.755940D+00
      5   0.474661D+00  0.815195D+01  0.162315D+01  0.919823D+00  0.199994D+01
      6   0.117783D+01 -0.176407D+01  0.766312D+00  0.277817D+00  0.364257D+01
               151           152           153           154           155 
      1   0.338600D+00  0.519212D+00 -0.259704D+02 -0.334381D+01 -0.367593D+00
      2  -0.236801D+01 -0.297676D+01 -0.208789D+02 -0.345126D+01 -0.144853D+01
      3   0.202941D+01  0.245755D+01  0.468493D+02  0.679506D+01  0.181612D+01
      4  -0.240474D+01  0.823258D+00 -0.123766D+01 -0.596444D+01 -0.225637D+01
      5   0.626752D+01  0.211180D+00  0.833796D+01 -0.258374D+01 -0.160151D+01
      6  -0.965335D+00  0.572243D+01 -0.116655D+02  0.155195D+01 -0.313503D+01
               156           157           158           159           160 
      1   0.105387D+02 -0.252643D+01 -0.393520D+01  0.922712D+00  0.950161D+01
      2   0.206209D+01  0.964849D+00  0.319342D+01  0.295797D+01  0.771881D+00
      3  -0.126008D+02  0.156158D+01  0.741784D+00 -0.388068D+01 -0.102735D+02
      4   0.317947D+01 -0.109612D+01  0.800852D+00  0.893822D+00  0.495761D+01
      5   0.316561D+00 -0.186195D+01 -0.306197D+00 -0.206575D+01  0.415633D+01
      6  -0.574072D+01 -0.132455D+01  0.794600D+00  0.113965D+01 -0.208637D+01
               161           162           163           164           165 
      1   0.364447D+00 -0.144351D+02  0.458679D+02 -0.417248D+01  0.130976D+02
      2   0.252452D+01 -0.854531D+01 -0.302695D+02  0.478690D+01 -0.122357D+02
      3  -0.288896D+01  0.229804D+02 -0.155984D+02 -0.614420D+00 -0.861898D+00
      4   0.234673D+01 -0.451764D+01  0.111170D+02  0.785382D+01  0.489178D+01
      5   0.135461D+00  0.379923D+01  0.276477D+02 -0.963181D+00  0.178262D+02
      6   0.367890D+01  0.767035D+01  0.283889D+01  0.398740D+01  0.312844D+01
               166           167           168           169           170 
      1  -0.102531D+02  0.359634D+01 -0.262949D+01  0.101362D+02 -0.191602D+00
      2   0.794626D+01 -0.335923D+00  0.387847D+01 -0.983153D+01  0.132617D+01
      3   0.230680D+01 -0.326042D+01 -0.124898D+01 -0.304640D+00 -0.113457D+01
      4   0.424553D+01 -0.347351D+00  0.141190D+01  0.354722D+01  0.146717D+01
      5  -0.616015D+01  0.301256D+01 -0.504632D+01  0.151202D+02 -0.162256D+01
      6   0.216895D+01 -0.497534D+00  0.527209D+00  0.198182D+01  0.158590D+01
               171           172           173           174           175 
      1   0.601384D+01  0.205343D+01  0.322879D+01  0.252933D+01  0.198423D+01
      2  -0.951713D+01  0.121765D+01 -0.114376D+01 -0.101355D+01  0.339862D+01
      3   0.350329D+01 -0.327108D+01 -0.208503D+01 -0.151578D+01 -0.538285D+01
      4   0.102213D+01  0.404655D+01  0.709747D+01  0.712549D+00  0.120244D+02
      5   0.111362D+02  0.242649D+01  0.820131D+00  0.152800D+01  0.307465D+01
      6   0.185221D+01  0.113428D+01  0.446413D-02 -0.495391D+00  0.262235D+01
               176           177           178           179           180 
      1  -0.222338D+02 -0.313571D+01  0.622751D+00 -0.592134D+00 -0.359568D+01
      2   0.478852D+02  0.233851D+01 -0.348971D+00 -0.243734D+01  0.361781D+01
      3  -0.256514D+02  0.797197D+00 -0.273780D+00  0.302948D+01 -0.221348D-01
      4   0.323881D+02  0.369319D+01 -0.505466D+00 -0.138248D+01  0.180391D+01
      5   0.281585D+01  0.474662D+01  0.148038D+01  0.255604D+01 -0.634031D+00
      6   0.161940D+02  0.927779D+01  0.119899D+00  0.679680D+01  0.680963D+00

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.130410D+01      0.331469D+01      0.110566D+02
   x         -0.102319D+01     -0.260068D+01     -0.867494D+01
   y          0.647983D+00      0.164701D+01      0.549383D+01
   z          0.483614D+00      0.122922D+01      0.410025D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.814059D+02      0.120631D+02      0.134220D+02
   aniso      0.127783D+02      0.189355D+01      0.210685D+01
   xx         0.863494D+02      0.127957D+02      0.142371D+02
   yx        -0.104942D+01     -0.155509D+00     -0.173027D+00
   yy         0.845157D+02      0.125239D+02      0.139348D+02
   zx        -0.193893D+01     -0.287320D+00     -0.319687D+00
   zy         0.293359D+00      0.434713D-01      0.483684D-01
   zz         0.733527D+02      0.108698D+02      0.120942D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  488.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.840934D+02      0.124614D+02      0.138651D+02
   aniso      0.135216D+02      0.200370D+01      0.222941D+01
   xx         0.894979D+02      0.132622D+02      0.147562D+02
   yx        -0.163114D+01     -0.241710D+00     -0.268938D+00
   yy         0.869409D+02      0.128833D+02      0.143346D+02
   zx        -0.230911D+01     -0.342174D+00     -0.380720D+00
   zy         0.496067D+00      0.735096D-01      0.817904D-01
   zz         0.758414D+02      0.112385D+02      0.125046D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          1.31995535          0.11008730         -2.11060588
     6          1.84263234          2.50472097         -0.63005441
     6         -0.04258463          2.84197498          1.55392716
     6         -0.21654866          0.46075033          3.18084895
     6         -0.88084855         -1.90126013          1.63091891
     6          1.05624842         -2.25554022         -0.51876698
     8          1.11292954          0.09261262         -4.38743087
     1          1.82350490          4.10364108         -1.92636991
     1          3.75399859          2.33996985          0.15341856
     1         -1.89984722          3.30447612          0.77908998
     1          0.52165459          4.45520983          2.70970982
     1         -1.61855586          0.72753580          4.67359822
     1          1.60017961          0.15352772          4.12344464
     6         -3.57737787         -1.82182635          0.59113052
     1         -0.73686767         -3.54289162          2.87853827
     1          0.55110110         -3.82818113         -1.74874708
     1          2.91210222         -2.65662609          0.30790623
     1         -3.83603400         -0.29675280         -0.77353237
     1         -4.94469776         -1.54936504          2.11201673
     1         -4.03883873         -3.58488625         -0.37401979

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.130410D+01      0.331469D+01      0.110566D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.130410D+01      0.331469D+01      0.110566D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.814059D+02      0.120631D+02      0.134220D+02
   aniso      0.127783D+02      0.189355D+01      0.210685D+01
   xx         0.763263D+02      0.113104D+02      0.125845D+02
   yx         0.432569D+01      0.641001D+00      0.713210D+00
   yy         0.817275D+02      0.121108D+02      0.134750D+02
   zx        -0.315101D+01     -0.466932D+00     -0.519532D+00
   zy         0.123097D+01      0.182411D+00      0.202959D+00
   zz         0.861640D+02      0.127682D+02      0.142065D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  488.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.840934D+02      0.124614D+02      0.138651D+02
   aniso      0.135216D+02      0.200370D+01      0.222941D+01
   xx         0.785983D+02      0.116471D+02      0.129591D+02
   yx         0.422495D+01      0.626073D+00      0.696600D+00
   yy         0.838951D+02      0.124320D+02      0.138324D+02
   zx        -0.322199D+01     -0.477450D+00     -0.531235D+00
   zy         0.117813D+01      0.174581D+00      0.194248D+00
   zz         0.897869D+02      0.133050D+02      0.148039D+02

 ----------------------------------------------------------------------
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 I LOVE MANKIND - IT'S PEOPLE I CAN'T STAND.
     -- LINUS OF PEANUTS
 Job cpu time:       0 days  2 hours 55 minutes  8.0 seconds.
 Elapsed time:       0 days  0 hours 10 minutes 58.4 seconds.
 File lengths (MBytes):  RWF=    223 Int=      0 D2E=      0 Chk=      9 Scr=      2
 Normal termination of Gaussian 16 at Fri Jul 23 18:09:18 2021.
